5-[(3-bromophenyl)carbonylamino]-N-cyclohexyl-2-[4-(phenylmethyl)piperazin-1-yl]benzamide

Systemtic Name: 5-[(3-bromophenyl)carbonylamino]-N-cyclohexyl-2-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-5-[(3-bromobenzoyl)amino]-N-cyclohexyl-benzamide CAS Name: 5-[[(3-bromophenyl)-oxomethyl]amino]-N-cyclohexyl-2-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-5-[(3-bromobenzoyl)amino]-N-cyclohexylbenzamide Traditional Name: 2-(4-benzylpiperazino)-5-[(3-bromobenzoyl)amino]-N-cyclohexyl-benzamide Formula: C31H35BrN4O2 MolecularWeight: 575.5392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)Br)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)Br)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H35BrN4O2/c32-25-11-7-10-24(20-25)30(37)34-27-14-15-29(28(21-27)31(38)33-26-12-5-2-6-13-26)36-18-16-35(17-19-36)22-23-8-3-1-4-9-23/h1,3-4,7-11,14-15,20-21,26H,2,5-6,12-13,16-19,22H2,(H,33,38)(H,34,37)