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

Systemtic Name: 2-[[4-(azepan-1-ylcarbonyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(azepane-1-carbonyl)-1-piperidyl]methyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[4-(azepane-1-carbonyl)piperidino]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C21H28N4O2 MolecularWeight: 368.47262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)CC3=CC(=O)N4C=CC=CC4=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)CC3=CC(=O)N4C=CC=CC4=N3

InChI

InChI=1S/C21H28N4O2/c26-20-15-18(22-19-7-3-6-12-25(19)20)16-23-13-8-17(9-14-23)21(27)24-10-4-1-2-5-11-24/h3,6-7,12,15,17H,1-2,4-5,8-11,13-14,16H2