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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)CN(C3CCC(CC3)N)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)CN(C3CCC(CC3)N)C(=O)C4=CC(=CC=C4)F

InChI

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