5-(azepan-1-ylcarbonyl)-1-butan-2-yl-4-oxidanylidene-N-[1-(phenylmethyl)piperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-butan-2-yl-4-oxidanylidene-N-[1-(phenylmethyl)piperidin-4-yl]pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-(1-benzyl-4-piperidyl)-4-oxo-1-sec-butyl-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-1-butan-2-yl-4-oxo-N-[1-(phenylmethyl)-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-N-(1-benzylpiperidin-4-yl)-1-butan-2-yl-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-N-(1-benzyl-4-piperidyl)-4-keto-1-sec-butyl-nicotinamide Formula: C29H40N4O3 MolecularWeight: 492.6529

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H40N4O3/c1-3-22(2)33-20-25(27(34)26(21-33)29(36)32-15-9-4-5-10-16-32)28(35)30-24-13-17-31(18-14-24)19-23-11-7-6-8-12-23/h6-8,11-12,20-22,24H,3-5,9-10,13-19H2,1-2H3,(H,30,35)