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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=C(C=CC(=C4)C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=C(C=CC(=C4)C)C)[N+](=O)[O-])C

InChI

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