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

Systemtic Name: 2-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[2-(4-methoxyphenyl)-1-azepanyl]methyl]-6-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[2-(4-methoxyphenyl)azepan-1-yl]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C23H27N3O2 MolecularWeight: 377.47938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)CN3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)CN3CCCCCC3C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N3O2/c1-17-7-6-9-22-24-19(15-23(27)26(17)22)16-25-14-5-3-4-8-21(25)18-10-12-20(28-2)13-11-18/h6-7,9-13,15,21H,3-5,8,14,16H2,1-2H3