4-chloranyl-N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-chloro-2-(4-p-toluoylpiperazino)phenyl]-3-nitro-benzamide Formula: C25H22Cl2N4O4 MolecularWeight: 513.37258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H22Cl2N4O4/c1-16-5-7-17(8-6-16)25(33)30-13-11-29(12-14-30)23-20(27)3-2-4-21(23)28-24(32)18-9-10-19(26)22(15-18)31(34)35/h2-10,15H,11-14H2,1H3,(H,28,32)