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

Systemtic Name: N-[2-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-fluoro-benzamide CAS Name: N-[2-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-fluorobenzamide Traditional Name: N-[2-[[(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=C2NC(=O)C3=CC(=CC=C3)F)C4CCC(CC4)N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)F)C4CCC(CC4)N

InChI

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