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

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

Isomeric SMILES

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

InChI

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