N-[4-[(4-azanylcyclohexyl)methyl]cyclohexyl]-4-[(3-fluorophenyl)carbonylamino]-3-methyl-benzamide

Systemtic Name: N-[4-[(4-azanylcyclohexyl)methyl]cyclohexyl]-4-[(3-fluorophenyl)carbonylamino]-3-methyl-benzamide Openeye Name: N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-4-[(3-fluorobenzoyl)amino]-3-methyl-benzamide CAS Name: N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-4-[[(3-fluorophenyl)-oxomethyl]amino]-3-methylbenzamide IUPAC Name: N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-4-[(3-fluorobenzoyl)amino]-3-methylbenzamide Traditional Name: N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-4-[(3-fluorobenzoyl)amino]-3-methyl-benzamide Formula: C28H36FN3O2 MolecularWeight: 465.602743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)CC3CCC(CC3)N)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)CC3CCC(CC3)N)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C28H36FN3O2/c1-18-15-22(9-14-26(18)32-28(34)21-3-2-4-23(29)17-21)27(33)31-25-12-7-20(8-13-25)16-19-5-10-24(30)11-6-19/h2-4,9,14-15,17,19-20,24-25H,5-8,10-13,16,30H2,1H3,(H,31,33)(H,32,34)