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

Systemtic Name: N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-o-toluoylpiperazino)phenyl]-3-nitro-benzamide Formula: C25H23ClN4O4 MolecularWeight: 478.92752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H23ClN4O4/c1-17-5-2-3-8-21(17)25(32)29-13-11-28(12-14-29)23-10-9-19(16-22(23)26)27-24(31)18-6-4-7-20(15-18)30(33)34/h2-10,15-16H,11-14H2,1H3,(H,27,31)