N-[3,5-bis(trifluoromethyl)phenyl]-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide Formula: C21H16F6N2O2 MolecularWeight: 442.354359

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H16F6N2O2/c1-12(30)29-7-6-13-4-2-3-5-17(13)18(29)11-19(31)28-16-9-14(20(22,23)24)8-15(10-16)21(25,26)27/h2-10,18H,11H2,1H3,(H,28,31)/t18-/m1/s1