4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(4-ethylphenyl)-3-nitro-benzamide

Systemtic Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(4-ethylphenyl)-3-nitro-benzamide Openeye Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(4-ethylphenyl)-3-nitro-benzamide CAS Name: 4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-N-(4-ethylphenyl)-3-nitrobenzamide IUPAC Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(4-ethylphenyl)-3-nitrobenzamide Traditional Name: 4-[4-(2,5-dimethylphenyl)piperazino]-N-(4-ethylphenyl)-3-nitro-benzamide Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=C(C=CC(=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=C(C=CC(=C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H30N4O3/c1-4-21-7-10-23(11-8-21)28-27(32)22-9-12-24(26(18-22)31(33)34)29-13-15-30(16-14-29)25-17-19(2)5-6-20(25)3/h5-12,17-18H,4,13-16H2,1-3H3,(H,28,32)