4-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[4-(4,5-dimethoxy-2-methyl-benzyl)piperazino]methyl]-3-nitro-benzamide Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H28N4O5/c1-15-10-20(30-2)21(31-3)12-18(15)14-25-8-6-24(7-9-25)13-17-5-4-16(22(23)27)11-19(17)26(28)29/h4-5,10-12H,6-9,13-14H2,1-3H3,(H2,23,27)