N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-3-cyano-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-3-cyano-benzamide Openeye Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-3-cyano-benzamide CAS Name: N-[2-(1-azepanyl)-5-(trifluoromethyl)phenyl]-3-cyanobenzamide IUPAC Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-3-cyanobenzamide Traditional Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-3-cyano-benzamide Formula: C21H20F3N3O MolecularWeight: 387.39821

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H20F3N3O/c22-21(23,24)17-8-9-19(27-10-3-1-2-4-11-27)18(13-17)26-20(28)16-7-5-6-15(12-16)14-25/h5-9,12-13H,1-4,10-11H2,(H,26,28)