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

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C21H22ClN5O5 MolecularWeight: 459.88288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O5/c1-31-18-10-14-15(11-19(18)32-2)23-20(24-21(14)28)12-25-5-7-26(8-6-25)16-4-3-13(22)9-17(16)27(29)30/h3-4,9-11H,5-8,12H2,1-2H3,(H,23,24,28)