2-(1,4-diazepan-1-yl)-N-[(2S)-1-methoxy-3-phenyl-propan-2-yl]pyridine-3-carboxamide

Systemtic Name: 2-(1,4-diazepan-1-yl)-N-[(2S)-1-methoxy-3-phenyl-propan-2-yl]pyridine-3-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-methoxy-ethyl]-2-(1,4-diazepan-1-yl)pyridine-3-carboxamide CAS Name: 2-(1,4-diazepan-1-yl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3-pyridinecarboxamide IUPAC Name: 2-(1,4-diazepan-1-yl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]pyridine-3-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-methoxy-ethyl]-2-(1,4-diazepan-1-yl)nicotinamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CC1=CC=CC=C1)NC(=O)C2=C(N=CC=C2)N3CCCNCC3

Isomeric SMILES

COC[C@H](CC1=CC=CC=C1)NC(=O)C2=C(N=CC=C2)N3CCCNCC3

InChI

InChI=1S/C21H28N4O2/c1-27-16-18(15-17-7-3-2-4-8-17)24-21(26)19-9-5-11-23-20(19)25-13-6-10-22-12-14-25/h2-5,7-9,11,18,22H,6,10,12-16H2,1H3,(H,24,26)/t18-/m0/s1