6,7-dimethoxy-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[4-(4-nitrophenyl)piperazino]methyl]-1H-quinazolin-4-one Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23N5O5/c1-30-18-11-16-17(12-19(18)31-2)22-20(23-21(16)27)13-24-7-9-25(10-8-24)14-3-5-15(6-4-14)26(28)29/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,23,27)