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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[4-(cyclohexylcarbonylamino)phenyl]methyl]-3-fluoranyl-benzamide Openeye Name: N-(4-aminocyclohexyl)-N-[[4-(cyclohexanecarbonylamino)phenyl]methyl]-3-fluoro-benzamide CAS Name: N-(4-aminocyclohexyl)-N-[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]methyl]-3-fluorobenzamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[4-(cyclohexanecarbonylamino)phenyl]methyl]-3-fluorobenzamide Traditional Name: N-(4-aminocyclohexyl)-N-[4-(cyclohexanecarbonylamino)benzyl]-3-fluoro-benzamide Formula: C27H34FN3O2 MolecularWeight: 451.576163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)CN(C3CCC(CC3)N)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)CN(C3CCC(CC3)N)C(=O)C4=CC(=CC=C4)F

InChI

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