4-[5-(azepan-1-ylcarbonyl)-1-butan-2-yl-4-oxidanylidene-pyridin-3-yl]carbonyl-1-phenyl-piperazin-2-one

Systemtic Name: 4-[5-(azepan-1-ylcarbonyl)-1-butan-2-yl-4-oxidanylidene-pyridin-3-yl]carbonyl-1-phenyl-piperazin-2-one Openeye Name: 4-[5-(azepane-1-carbonyl)-4-oxo-1-sec-butyl-pyridine-3-carbonyl]-1-phenyl-piperazin-2-one CAS Name: 4-[[5-[1-azepanyl(oxo)methyl]-1-butan-2-yl-4-oxo-3-pyridinyl]-oxomethyl]-1-phenyl-2-piperazinone IUPAC Name: 4-[5-(azepane-1-carbonyl)-1-butan-2-yl-4-oxopyridine-3-carbonyl]-1-phenylpiperazin-2-one Traditional Name: 4-[5-(azepane-1-carbonyl)-4-keto-1-sec-butyl-nicotinoyl]-1-phenyl-piperazin-2-one Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCN(C(=O)C2)C3=CC=CC=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCN(C(=O)C2)C3=CC=CC=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H34N4O4/c1-3-20(2)30-17-22(26(34)28-13-9-4-5-10-14-28)25(33)23(18-30)27(35)29-15-16-31(24(32)19-29)21-11-7-6-8-12-21/h6-8,11-12,17-18,20H,3-5,9-10,13-16,19H2,1-2H3