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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-fluoro-benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-fluorobenzamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-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(=CC=C3)F)C4CCC(CC4)N

Isomeric SMILES

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

InChI

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