2-(azepan-1-yl)-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-phenyl-ethanamide

Systemtic Name: 2-(azepan-1-yl)-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-phenyl-ethanamide Openeye Name: 2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-acetamide CAS Name: 2-(1-azepanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylacetamide IUPAC Name: 2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylacetamide Traditional Name: 2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-acetamide Formula: C21H22ClF3N2O MolecularWeight: 410.86039

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CCCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C21H22ClF3N2O/c22-17-11-10-16(21(23,24)25)14-18(17)26-20(28)19(15-8-4-3-5-9-15)27-12-6-1-2-7-13-27/h3-5,8-11,14,19H,1-2,6-7,12-13H2,(H,26,28)