N-[3-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-4-fluoranyl-benzamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-fluoro-benzamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-fluorobenzamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-fluoro-benzamide Formula: C27H34FN3O2 MolecularWeight: 451.576163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)F)C4CCCCC4N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)F)C4CCCCC4N

InChI

InChI=1S/C27H34FN3O2/c28-22-15-13-20(14-16-22)26(32)30-23-10-6-7-19(17-23)18-31(25-12-5-4-11-24(25)29)27(33)21-8-2-1-3-9-21/h6-7,10,13-17,21,24-25H,1-5,8-9,11-12,18,29H2,(H,30,32)