3-(2,4-dimethoxyphenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-nitro-quinazolin-4-one

Systemtic Name: 3-(2,4-dimethoxyphenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-nitro-quinazolin-4-one Openeye Name: 3-(2,4-dimethoxyphenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-nitro-quinazolin-4-one CAS Name: 3-(2,4-dimethoxyphenyl)-2-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-6-nitro-4-quinazolinone IUPAC Name: 3-(2,4-dimethoxyphenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-nitroquinazolin-4-one Traditional Name: 3-(2,4-dimethoxyphenyl)-2-[[4-(2-methoxyphenyl)piperazino]methyl]-6-nitro-quinazolin-4-one Formula: C28H29N5O6 MolecularWeight: 531.55976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCN(CC4)C5=CC=CC=C5OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CN4CCN(CC4)C5=CC=CC=C5OC)OC

InChI

InChI=1S/C28H29N5O6/c1-37-20-9-11-24(26(17-20)39-3)32-27(29-22-10-8-19(33(35)36)16-21(22)28(32)34)18-30-12-14-31(15-13-30)23-6-4-5-7-25(23)38-2/h4-11,16-17H,12-15,18H2,1-3H3