N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(cyclopentylcarbonylamino)phenyl]methyl]-3-fluoranyl-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(cyclopentylcarbonylamino)phenyl]methyl]-3-fluoranyl-benzamide Openeye Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclopentanecarbonylamino)phenyl]methyl]-3-fluoro-benzamide CAS Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[[cyclopentyl(oxo)methyl]amino]phenyl]methyl]-3-fluorobenzamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclopentanecarbonylamino)phenyl]methyl]-3-fluorobenzamide Traditional Name: N-(4-aminocyclohexyl)-N-[2-chloro-5-(cyclopentanecarbonylamino)benzyl]-3-fluoro-benzamide Formula: C26H31ClFN3O2 MolecularWeight: 471.994643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C26H31ClFN3O2/c27-24-13-10-22(30-25(32)17-4-1-2-5-17)15-19(24)16-31(23-11-8-21(29)9-12-23)26(33)18-6-3-7-20(28)14-18/h3,6-7,10,13-15,17,21,23H,1-2,4-5,8-9,11-12,16,29H2,(H,30,32)