N-[3-[[(2-azanylcyclohexyl)-(3-fluorophenyl)carbonyl-amino]methyl]phenyl]-2-bromanyl-benzamide

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-(3-fluorophenyl)carbonyl-amino]methyl]phenyl]-2-bromanyl-benzamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-2-bromo-benzamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[(3-fluorophenyl)-oxomethyl]amino]methyl]phenyl]-2-bromobenzamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-2-bromobenzamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-2-bromo-benzamide Formula: C27H27BrFN3O2 MolecularWeight: 524.424583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Br)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Br)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C27H27BrFN3O2/c28-23-12-2-1-11-22(23)26(33)31-21-10-5-7-18(15-21)17-32(25-14-4-3-13-24(25)30)27(34)19-8-6-9-20(29)16-19/h1-2,5-12,15-16,24-25H,3-4,13-14,17,30H2,(H,31,33)