N-[2-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]ethyl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[2-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]ethyl]-4-(trifluoromethyl)benzamide Openeye Name: N-[2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide CAS Name: N-[2-[[2-(2-acetyl-1H-isoquinolin-1-yl)-1-oxoethyl]amino]ethyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide Traditional Name: N-[2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide Formula: C23H22F3N3O3 MolecularWeight: 445.43429

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22F3N3O3/c1-15(30)29-13-10-16-4-2-3-5-19(16)20(29)14-21(31)27-11-12-28-22(32)17-6-8-18(9-7-17)23(24,25)26/h2-10,13,20H,11-12,14H2,1H3,(H,27,31)(H,28,32)