N-(2-azanylcyclohexyl)-3-benzamido-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: N-(2-azanylcyclohexyl)-3-benzamido-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-3-benzamido-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-3-benzamido-4-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-3-benzamido-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-3-benzamido-4-[[4-(4-fluorophenyl)piperazino]methyl]benzamide Formula: C31H36FN5O2 MolecularWeight: 529.648243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C4=CC=C(C=C4)F)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C(C1)N)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C4=CC=C(C=C4)F)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H36FN5O2/c32-25-12-14-26(15-13-25)37-18-16-36(17-19-37)21-24-11-10-23(31(39)34-28-9-5-4-8-27(28)33)20-29(24)35-30(38)22-6-2-1-3-7-22/h1-3,6-7,10-15,20,27-28H,4-5,8-9,16-19,21,33H2,(H,34,39)(H,35,38)