N-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]pyridine-3-carboxamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-1-benzyl-2-oxo-ethyl]pyridine-3-carboxamide CAS Name: N-[(2S)-1-(1-azepanyl)-1-oxo-3-phenylpropan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-1-benzyl-2-keto-ethyl]nicotinamide Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CN=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H25N3O2/c25-20(18-11-8-12-22-16-18)23-19(15-17-9-4-3-5-10-17)21(26)24-13-6-1-2-7-14-24/h3-5,8-12,16,19H,1-2,6-7,13-15H2,(H,23,25)/t19-/m0/s1