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

Systemtic Name: N-[4-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-4-fluoranyl-benzamide Openeye Name: N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-fluoro-benzamide CAS Name: N-[4-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-fluorobenzamide Traditional Name: N-[4-[[(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=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C4CCC(CC4)N

Isomeric SMILES

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

InChI

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