N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-3-fluoranyl-benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]-3-fluoro-benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]-4-chlorophenyl]-3-fluorobenzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chlorophenyl]-3-fluorobenzamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]-3-fluoro-benzamide Formula: C27H33ClFN3O2 MolecularWeight: 486.021223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)F)Cl)C4CCC(CC4)N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)F)Cl)C4CCC(CC4)N

InChI

InChI=1S/C27H33ClFN3O2/c28-25-14-11-23(31-26(33)19-7-4-8-21(29)15-19)16-20(25)17-32(24-12-9-22(30)10-13-24)27(34)18-5-2-1-3-6-18/h4,7-8,11,14-16,18,22,24H,1-3,5-6,9-10,12-13,17,30H2,(H,31,33)