7-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-6-nitro-1H-quinazolin-4-one CAS Name: 7-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-6-nitro-1H-quinazolin-4-one Traditional Name: 6-nitro-7-(4-veratrylpiperazino)-1H-quinazolin-4-one Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-])OC

InChI

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