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

Systemtic Name: 3-(2,4-dimethoxyphenyl)-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-nitro-quinazolin-4-one Openeye Name: 3-(2,4-dimethoxyphenyl)-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-nitro-quinazolin-4-one CAS Name: 3-(2,4-dimethoxyphenyl)-2-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-6-nitro-4-quinazolinone IUPAC Name: 3-(2,4-dimethoxyphenyl)-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-nitroquinazolin-4-one Traditional Name: 3-(2,4-dimethoxyphenyl)-2-[[4-(4-fluorophenyl)piperazino]methyl]-6-nitro-quinazolin-4-one Formula: C27H26FN5O5 MolecularWeight: 519.524243

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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=C(C=C5)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H26FN5O5/c1-37-21-8-10-24(25(16-21)38-2)32-26(29-23-9-7-20(33(35)36)15-22(23)27(32)34)17-30-11-13-31(14-12-30)19-5-3-18(28)4-6-19/h3-10,15-16H,11-14,17H2,1-2H3