Viewing Compound With Structures

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Compound Report Overview

Compound Name: PYROVALERONE
Compound Identifier: 701451
Mol Structure 2D: 701451
Molecular Weight: 245
Formula: C16 H23 N O
Development Status: Preclinical
SMILES: CCCC(N1CCCC1)C(=O)c2ccc(C)cc2
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222342D 0 0.00000 0.00000 0^^ 18 19 0 0 0 999 V2000^ -0.1500 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3750 1.1000 0.0000 N 0 0 3 0 0 0 0 0 0^ -1.2625 0.4458 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.9792 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1500 2.3958 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.0042 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0917 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1167 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2292 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2292 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3750 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6125 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2625 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3375 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3750 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5875 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3750 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 3 1 0 0 0^ 3 1 1 0 0 0^ 4 1 1 0 0 0^ 5 1 2 0 0 0^ 6 4 2 0 0 0^ 7 4 1 0 0 0^ 8 6 1 0 0 0^ 9 7 2 0 0 0^ 10 9 1 0 0 0^ 11 2 1 0 0 0^ 12 2 1 0 0 0^ 13 3 1 0 0 0^ 14 10 1 0 0 0^ 15 13 1 0 0 0^ 16 12 1 0 0 0^ 17 11 1 0 0 0^ 18 15 1 0 0 0^ 10 8 2 0 0 0^ 17 16 1 0 0 0^M END^^
Structure View
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