2-[[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(5-nitro-8-quinolyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-(5-nitro-8-quinolinyl)-1-piperazinyl]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[4-(5-nitro-8-quinolyl)piperazino]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)N3C=CC=CC3=N2)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)N3C=CC=CC3=N2)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=N5

InChI

InChI=1S/C22H20N6O3/c29-21-14-16(24-20-5-1-2-9-27(20)21)15-25-10-12-26(13-11-25)19-7-6-18(28(30)31)17-4-3-8-23-22(17)19/h1-9,14H,10-13,15H2