5-(azepan-1-ylcarbonyl)-1-[(2S)-butan-2-yl]-4-oxidanylidene-N-[(4-phenyloxan-4-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-[(2S)-butan-2-yl]-4-oxidanylidene-N-[(4-phenyloxan-4-yl)methyl]pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-1-[(1S)-1-methylpropyl]-4-oxo-N-[(4-phenyltetrahydropyran-4-yl)methyl]pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-1-[(2S)-butan-2-yl]-4-oxo-N-[(4-phenyl-4-oxanyl)methyl]-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-1-[(2S)-butan-2-yl]-4-oxo-N-[(4-phenyloxan-4-yl)methyl]pyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-4-keto-1-[(1S)-1-methylpropyl]-N-[(4-phenyltetrahydropyran-4-yl)methyl]nicotinamide Formula: C29H39N3O4 MolecularWeight: 493.63766

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3(CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC[C@H](C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3(CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C29H39N3O4/c1-3-22(2)32-19-24(26(33)25(20-32)28(35)31-15-9-4-5-10-16-31)27(34)30-21-29(13-17-36-18-14-29)23-11-7-6-8-12-23/h6-8,11-12,19-20,22H,3-5,9-10,13-18,21H2,1-2H3,(H,30,34)/t22-/m0/s1