N-(4-azanylcyclohexyl)-4-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)-3-[(4-fluorophenyl)carbonylamino]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)-3-[(4-fluorophenyl)carbonylamino]benzamide Openeye Name: N-(4-aminocyclohexyl)-4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-3-[(4-fluorobenzoyl)amino]benzamide CAS Name: N-(4-aminocyclohexyl)-4-[4-[cyclohexyl(oxo)methyl]-1,4-diazepan-1-yl]-3-[[(4-fluorophenyl)-oxomethyl]amino]benzamide IUPAC Name: N-(4-aminocyclohexyl)-4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-3-[(4-fluorobenzoyl)amino]benzamide Traditional Name: N-(4-aminocyclohexyl)-4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-3-[(4-fluorobenzoyl)amino]benzamide Formula: C32H42FN5O3 MolecularWeight: 563.705983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C32H42FN5O3/c33-25-10-7-22(8-11-25)30(39)36-28-21-24(31(40)35-27-14-12-26(34)13-15-27)9-16-29(28)37-17-4-18-38(20-19-37)32(41)23-5-2-1-3-6-23/h7-11,16,21,23,26-27H,1-6,12-15,17-20,34H2,(H,35,40)(H,36,39)