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

Systemtic Name: N-(4-azanylcyclohexyl)-4-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]-3-(2-phenylethanoylamino)benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-[(1-oxo-2-phenylethyl)amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(3-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(=CC=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(=CC=C4)F)NC(=O)CC5=CC=CC=C5

InChI

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