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

Systemtic Name: N-[2-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[2-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-fluoro-benzamide CAS Name: N-[2-[[(2-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[2-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-fluorobenzamide Traditional Name: N-[2-[[(2-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)C4CCCCC4N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)F)C4CCCCC4N

InChI

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