N-[2-(3-oxidanylbutyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[2-(3-oxidanylbutyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[2-(3-hydroxybutyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[2-(3-hydroxybutyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[2-(3-hydroxybutyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[2-(3-hydroxybutyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide Formula: C21H23F3N2O2 MolecularWeight: 392.41473

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)O

Isomeric SMILES

CC(CCN1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)O

InChI

InChI=1S/C21H23F3N2O2/c1-14(27)8-10-26-11-9-15-4-7-19(12-17(15)13-26)25-20(28)16-2-5-18(6-3-16)21(22,23)24/h2-7,12,14,27H,8-11,13H2,1H3,(H,25,28)