4-(azepan-1-ylmethyl)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-(azepan-1-ylmethyl)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-(azepan-1-ylmethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide CAS Name: 4-(1-azepanylmethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-(azepan-1-ylmethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-(azepan-1-ylmethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide Formula: C21H22ClF3N2O MolecularWeight: 410.86039

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C21H22ClF3N2O/c22-19-10-9-17(13-18(19)21(23,24)25)26-20(28)16-7-5-15(6-8-16)14-27-11-3-1-2-4-12-27/h5-10,13H,1-4,11-12,14H2,(H,26,28)