5-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-N-cyclohexyl-2-[4-(phenylmethyl)piperazin-1-yl]benzamide

Systemtic Name: 5-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-N-cyclohexyl-2-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-5-[(2-chloro-4-nitro-benzoyl)amino]-N-cyclohexyl-benzamide CAS Name: 5-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-N-cyclohexyl-2-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-5-[(2-chloro-4-nitrobenzoyl)amino]-N-cyclohexylbenzamide Traditional Name: 2-(4-benzylpiperazino)-5-[(2-chloro-4-nitro-benzoyl)amino]-N-cyclohexyl-benzamide Formula: C31H34ClN5O4 MolecularWeight: 576.08576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H34ClN5O4/c32-28-20-25(37(40)41)12-13-26(28)30(38)34-24-11-14-29(27(19-24)31(39)33-23-9-5-2-6-10-23)36-17-15-35(16-18-36)21-22-7-3-1-4-8-22/h1,3-4,7-8,11-14,19-20,23H,2,5-6,9-10,15-18,21H2,(H,33,39)(H,34,38)