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

Systemtic Name: N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[3-chloro-2-(4-p-toluoylpiperazino)phenyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C31H34ClN5O4 MolecularWeight: 576.08576

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C(=CC=C3)Cl)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C(=CC=C3)Cl)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C31H34ClN5O4/c1-21-6-8-23(9-7-21)31(39)36-18-16-35(17-19-36)29-25(32)4-3-5-26(29)33-30(38)24-10-11-27(28(20-24)37(40)41)34-14-12-22(2)13-15-34/h3-11,20,22H,12-19H2,1-2H3,(H,33,38)