N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(cyclohexylcarbonylamino)phenyl]methyl]-3-fluoranyl-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(cyclohexylcarbonylamino)phenyl]methyl]-3-fluoranyl-benzamide Openeye Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclohexanecarbonylamino)phenyl]methyl]-3-fluoro-benzamide CAS Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[[cyclohexyl(oxo)methyl]amino]phenyl]methyl]-3-fluorobenzamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclohexanecarbonylamino)phenyl]methyl]-3-fluorobenzamide Traditional Name: N-(4-aminocyclohexyl)-N-[2-chloro-5-(cyclohexanecarbonylamino)benzyl]-3-fluoro-benzamide Formula: C27H33ClFN3O2 MolecularWeight: 486.021223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4=CC(=CC=C4)F

InChI

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