4-[[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 3-nitro-4-[(4-veratroylpiperazino)methyl]benzamide Formula: C21H24N4O6 MolecularWeight: 428.43846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N4O6/c1-30-18-6-5-15(12-19(18)31-2)21(27)24-9-7-23(8-10-24)13-16-4-3-14(20(22)26)11-17(16)25(28)29/h3-6,11-12H,7-10,13H2,1-2H3,(H2,22,26)