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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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