2-[[[4-(azepan-1-yl)phenyl]amino]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[[4-(azepan-1-yl)phenyl]amino]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(azepan-1-yl)anilino]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-(1-azepanyl)anilino]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(azepan-1-yl)anilino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[4-(azepan-1-yl)anilino]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C22H26N4O MolecularWeight: 362.46804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CNC3=CC=C(C=C3)N4CCCCCC4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CNC3=CC=C(C=C3)N4CCCCCC4)C=C1

InChI

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