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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[(5-benzamido-2-chloranyl-phenyl)methyl]-3-fluoranyl-benzamide Openeye Name: N-(4-aminocyclohexyl)-N-[(5-benzamido-2-chloro-phenyl)methyl]-3-fluoro-benzamide CAS Name: N-(4-aminocyclohexyl)-N-[(5-benzamido-2-chlorophenyl)methyl]-3-fluorobenzamide IUPAC Name: N-(4-aminocyclohexyl)-N-[(5-benzamido-2-chlorophenyl)methyl]-3-fluorobenzamide Traditional Name: N-(4-aminocyclohexyl)-N-(5-benzamido-2-chloro-benzyl)-3-fluoro-benzamide Formula: C27H27ClFN3O2 MolecularWeight: 479.973583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)Cl)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CC(CCC1N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)Cl)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C27H27ClFN3O2/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/h1-8,11,14-16,22,24H,9-10,12-13,17,30H2,(H,31,33)