6-(azepan-1-yl)-N-[[4-(dimethylaminomethyl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 6-(azepan-1-yl)-N-[[4-(dimethylaminomethyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 6-(azepan-1-yl)-N-[[4-(dimethylaminomethyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 6-(1-azepanyl)-N-[[4-(dimethylaminomethyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 6-(azepan-1-yl)-N-[[4-(dimethylaminomethyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 6-(azepan-1-yl)-N-[4-(dimethylaminomethyl)benzyl]nicotinamide Formula: C22H30N4O MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)CNC(=O)C2=CN=C(C=C2)N3CCCCCC3

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)CNC(=O)C2=CN=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H30N4O/c1-25(2)17-19-9-7-18(8-10-19)15-24-22(27)20-11-12-21(23-16-20)26-13-5-3-4-6-14-26/h7-12,16H,3-6,13-15,17H2,1-2H3,(H,24,27)