1-[[4-chloranyl-3-(trifluoromethyl)phenyl]methyl]-3-(8-methoxyisoquinolin-5-yl)urea

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]methyl]-3-(8-methoxyisoquinolin-5-yl)urea Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(8-methoxy-5-isoquinolyl)urea CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(8-methoxy-5-isoquinolinyl)urea IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(8-methoxyisoquinolin-5-yl)urea Traditional Name: 1-[4-chloro-3-(trifluoromethyl)benzyl]-3-(8-methoxy-5-isoquinolyl)urea Formula: C19H15ClF3N3O2 MolecularWeight: 409.78951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=NC=CC2=C(C=C1)NC(=O)NCC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

COC1=C2C=NC=CC2=C(C=C1)NC(=O)NCC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C19H15ClF3N3O2/c1-28-17-5-4-16(12-6-7-24-10-13(12)17)26-18(27)25-9-11-2-3-15(20)14(8-11)19(21,22)23/h2-8,10H,9H2,1H3,(H2,25,26,27)