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

Systemtic Name: N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-4-nitro-benzamide Openeye Name: N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-nitro-benzamide CAS Name: N-[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-nitrobenzamide Traditional Name: N-[3-chloro-2-(4-p-toluoylpiperazino)phenyl]-4-nitro-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=C(C=CC=C3Cl)NC(=O)C4=CC=C(C=C4)[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)[N+](=O)[O-]

InChI

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