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

Systemtic Name: N-cyclohexyl-5-[(4-nitrophenyl)carbonylamino]-2-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-[(4-nitrobenzoyl)amino]benzamide CAS Name: N-cyclohexyl-5-[[(4-nitrophenyl)-oxomethyl]amino]-2-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-cyclohexyl-5-[(4-nitrobenzoyl)amino]benzamide Traditional Name: 2-(4-benzylpiperazino)-N-cyclohexyl-5-[(4-nitrobenzoyl)amino]benzamide Formula: C31H35N5O4 MolecularWeight: 541.6407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35N5O4/c37-30(24-11-14-27(15-12-24)36(39)40)33-26-13-16-29(28(21-26)31(38)32-25-9-5-2-6-10-25)35-19-17-34(18-20-35)22-23-7-3-1-4-8-23/h1,3-4,7-8,11-16,21,25H,2,5-6,9-10,17-20,22H2,(H,32,38)(H,33,37)