N-[4-[[(4-azanylcyclohexyl)-(3-fluorophenyl)carbonyl-amino]methyl]phenyl]-2-methoxy-benzamide

Systemtic Name: N-[4-[[(4-azanylcyclohexyl)-(3-fluorophenyl)carbonyl-amino]methyl]phenyl]-2-methoxy-benzamide Openeye Name: N-[4-[[(4-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-2-methoxy-benzamide CAS Name: N-[4-[[(4-aminocyclohexyl)-[(3-fluorophenyl)-oxomethyl]amino]methyl]phenyl]-2-methoxybenzamide IUPAC Name: N-[4-[[(4-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-2-methoxybenzamide Traditional Name: N-[4-[[(4-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-2-methoxy-benzamide Formula: C28H30FN3O3 MolecularWeight: 475.554503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)CN(C3CCC(CC3)N)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)CN(C3CCC(CC3)N)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C28H30FN3O3/c1-35-26-8-3-2-7-25(26)27(33)31-23-13-9-19(10-14-23)18-32(24-15-11-22(30)12-16-24)28(34)20-5-4-6-21(29)17-20/h2-10,13-14,17,22,24H,11-12,15-16,18,30H2,1H3,(H,31,33)