2-[[[2-(azepan-1-yl)phenyl]amino]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[[2-(azepan-1-yl)phenyl]amino]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[2-(azepan-1-yl)anilino]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)anilino]methyl]-9-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[2-(azepan-1-yl)anilino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)anilino]methyl]-9-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=CN2C1=NC(=CC2=O)CNC3=CC=CC=C3N4CCCCCC4

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)CNC3=CC=CC=C3N4CCCCCC4

InChI

InChI=1S/C22H26N4O/c1-17-9-8-14-26-21(27)15-18(24-22(17)26)16-23-19-10-4-5-11-20(19)25-12-6-2-3-7-13-25/h4-5,8-11,14-15,23H,2-3,6-7,12-13,16H2,1H3