N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,5-bis(trifluoromethyl)benzamide Formula: C21H18F6N2O2 MolecularWeight: 444.370239

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H18F6N2O2/c1-2-18(30)29-6-5-12-3-4-17(9-14(12)11-29)28-19(31)13-7-15(20(22,23)24)10-16(8-13)21(25,26)27/h3-4,7-10H,2,5-6,11H2,1H3,(H,28,31)