1-cyclopropyl-4-oxidanylidene-5-[(4S)-4-phenylazepan-1-yl]carbonyl-N-(phenylmethyl)pyridine-3-carboxamide

Systemtic Name: 1-cyclopropyl-4-oxidanylidene-5-[(4S)-4-phenylazepan-1-yl]carbonyl-N-(phenylmethyl)pyridine-3-carboxamide Openeye Name: N-benzyl-1-cyclopropyl-4-oxo-5-[(4S)-4-phenylazepane-1-carbonyl]pyridine-3-carboxamide CAS Name: 1-cyclopropyl-4-oxo-5-[oxo-[(4S)-4-phenyl-1-azepanyl]methyl]-N-(phenylmethyl)-3-pyridinecarboxamide IUPAC Name: N-benzyl-1-cyclopropyl-4-oxo-5-[(4S)-4-phenylazepane-1-carbonyl]pyridine-3-carboxamide Traditional Name: N-benzyl-1-cyclopropyl-4-keto-5-[(4S)-4-phenylazepane-1-carbonyl]nicotinamide Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)C2=CN(C=C(C2=O)C(=O)NCC3=CC=CC=C3)C4CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CCN(C1)C(=O)C2=CN(C=C(C2=O)C(=O)NCC3=CC=CC=C3)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O3/c33-27-25(28(34)30-18-21-8-3-1-4-9-21)19-32(24-13-14-24)20-26(27)29(35)31-16-7-12-23(15-17-31)22-10-5-2-6-11-22/h1-6,8-11,19-20,23-24H,7,12-18H2,(H,30,34)/t23-/m0/s1