2-chloranyl-N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-nitrobenzamide Traditional Name: 2-chloro-5-nitro-N-[4-(4-p-toluoylpiperazino)phenyl]benzamide Formula: C25H23ClN4O4 MolecularWeight: 478.92752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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