N-(4-azanylcyclohexyl)-4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-3-(2-phenylethanoylamino)benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-3-(2-phenylethanoylamino)benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-[(1-oxo-2-phenylethyl)amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(4-fluorobenzoyl)piperazino]-3-[(2-phenylacetyl)amino]benzamide Formula: C32H36FN5O3 MolecularWeight: 557.658343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C32H36FN5O3/c33-25-9-6-23(7-10-25)32(41)38-18-16-37(17-19-38)29-15-8-24(31(40)35-27-13-11-26(34)12-14-27)21-28(29)36-30(39)20-22-4-2-1-3-5-22/h1-10,15,21,26-27H,11-14,16-20,34H2,(H,35,40)(H,36,39)