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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-4-fluoranyl-benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-fluoro-benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-fluorobenzamide Traditional Name: N-[3-[[(4-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)C4CCC(CC4)N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)F)C4CCC(CC4)N

InChI

InChI=1S/C27H34FN3O2/c28-22-11-9-20(10-12-22)26(32)30-24-8-4-5-19(17-24)18-31(25-15-13-23(29)14-16-25)27(33)21-6-2-1-3-7-21/h4-5,8-12,17,21,23,25H,1-3,6-7,13-16,18,29H2,(H,30,32)