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

Systemtic Name: 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)-3-nitro-benzamide Openeye Name: 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)-3-nitro-benzamide CAS Name: 4-[4-(2-chlorophenyl)-1-piperazinyl]-N-(2,4-dimethylphenyl)-3-nitrobenzamide IUPAC Name: 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)-3-nitrobenzamide Traditional Name: 4-[4-(2-chlorophenyl)piperazino]-N-(2,4-dimethylphenyl)-3-nitro-benzamide Formula: C25H25ClN4O3 MolecularWeight: 464.944

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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=CC=CC=C4Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4Cl)[N+](=O)[O-])C

InChI

InChI=1S/C25H25ClN4O3/c1-17-7-9-21(18(2)15-17)27-25(31)19-8-10-23(24(16-19)30(32)33)29-13-11-28(12-14-29)22-6-4-3-5-20(22)26/h3-10,15-16H,11-14H2,1-2H3,(H,27,31)