3-(3-methoxyphenyl)-6-nitro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinazolin-4-one

Systemtic Name: 3-(3-methoxyphenyl)-6-nitro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-6-nitro-2-[[4-(2-pyridyl)piperazin-1-yl]methyl]quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-6-nitro-2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-6-nitro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinazolin-4-one Traditional Name: 3-(3-methoxyphenyl)-6-nitro-2-[[4-(2-pyridyl)piperazino]methyl]quinazolin-4-one Formula: C25H24N6O4 MolecularWeight: 472.49586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C25H24N6O4/c1-35-20-6-4-5-18(15-20)30-24(27-22-9-8-19(31(33)34)16-21(22)25(30)32)17-28-11-13-29(14-12-28)23-7-2-3-10-26-23/h2-10,15-16H,11-14,17H2,1H3