1-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-3-(8-oxidanylidene-2H-isoquinolin-5-yl)urea

Systemtic Name: 1-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-3-(8-oxidanylidene-2H-isoquinolin-5-yl)urea Openeye Name: 1-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-3-(8-oxo-2H-isoquinolin-5-yl)urea CAS Name: 1-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-3-(8-oxo-2H-isoquinolin-5-yl)urea IUPAC Name: 1-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-3-(8-oxo-2H-isoquinolin-5-yl)urea Traditional Name: 1-(8-keto-2H-isoquinolin-5-yl)-3-[4-methyl-3-(trifluoromethyl)benzyl]urea Formula: C19H16F3N3O2 MolecularWeight: 375.34445

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)NC2=C3C=CNC=C3C(=O)C=C2)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)NC2=C3C=CNC=C3C(=O)C=C2)C(F)(F)F

InChI

InChI=1S/C19H16F3N3O2/c1-11-2-3-12(8-15(11)19(20,21)22)9-24-18(27)25-16-4-5-17(26)14-10-23-7-6-13(14)16/h2-8,10,23H,9H2,1H3,(H2,24,25,27)