2-[[[4-(azepan-1-yl)phenyl]amino]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[[4-(azepan-1-yl)phenyl]amino]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(azepan-1-yl)anilino]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-(1-azepanyl)anilino]methyl]-6-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(azepan-1-yl)anilino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[4-(azepan-1-yl)anilino]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C22H26N4O MolecularWeight: 362.46804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)CNC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)CNC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C22H26N4O/c1-17-7-6-8-21-24-19(15-22(27)26(17)21)16-23-18-9-11-20(12-10-18)25-13-4-2-3-5-14-25/h6-12,15,23H,2-5,13-14,16H2,1H3