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

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

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)CN(C3CCCCC3N)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C28H30FN3O3/c1-35-24-9-5-6-20(17-24)27(33)31-23-14-12-19(13-15-23)18-32(26-11-3-2-10-25(26)30)28(34)21-7-4-8-22(29)16-21/h4-9,12-17,25-26H,2-3,10-11,18,30H2,1H3,(H,31,33)