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

Systemtic Name: N-(2-azanylcyclohexyl)-N-[[2-chloranyl-5-(cyclobutylcarbonylamino)phenyl]methyl]-3-fluoranyl-benzamide Openeye Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-(cyclobutanecarbonylamino)phenyl]methyl]-3-fluoro-benzamide CAS Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-[[cyclobutyl(oxo)methyl]amino]phenyl]methyl]-3-fluorobenzamide IUPAC Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-(cyclobutanecarbonylamino)phenyl]methyl]-3-fluorobenzamide Traditional Name: N-(2-aminocyclohexyl)-N-[2-chloro-5-(cyclobutanecarbonylamino)benzyl]-3-fluoro-benzamide Formula: C25H29ClFN3O2 MolecularWeight: 457.968063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)C3CCC3)Cl)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)C3CCC3)Cl)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H29ClFN3O2/c26-21-12-11-20(29-24(31)16-5-3-6-16)14-18(21)15-30(23-10-2-1-9-22(23)28)25(32)17-7-4-8-19(27)13-17/h4,7-8,11-14,16,22-23H,1-3,5-6,9-10,15,28H2,(H,29,31)