4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 3-nitro-4-(4-veratrylpiperazino)benzonitrile Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c1-27-19-6-4-16(12-20(19)28-2)14-22-7-9-23(10-8-22)17-5-3-15(13-21)11-18(17)24(25)26/h3-6,11-12H,7-10,14H2,1-2H3