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

Systemtic Name: N-[4-[[(2-azanylcyclohexyl)-(3-fluorophenyl)carbonyl-amino]methyl]phenyl]-2-methoxy-benzamide Openeye Name: N-[4-[[(2-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-2-methoxy-benzamide CAS Name: N-[4-[[(2-aminocyclohexyl)-[(3-fluorophenyl)-oxomethyl]amino]methyl]phenyl]-2-methoxybenzamide IUPAC Name: N-[4-[[(2-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-2-methoxybenzamide Traditional Name: N-[4-[[(2-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(C3CCCCC3N)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)CN(C3CCCCC3N)C(=O)C4=CC(=CC=C4)F

InChI

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