1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(3-methylisoquinolin-5-yl)urea

Systemtic Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(3-methylisoquinolin-5-yl)urea Openeye Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(3-methyl-5-isoquinolyl)urea CAS Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(3-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(3-methylisoquinolin-5-yl)urea Traditional Name: 1-[3,5-bis(trifluoromethyl)benzyl]-3-(3-methyl-5-isoquinolyl)urea Formula: C20H15F6N3O MolecularWeight: 427.343019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H15F6N3O/c1-11-5-16-13(10-27-11)3-2-4-17(16)29-18(30)28-9-12-6-14(19(21,22)23)8-15(7-12)20(24,25)26/h2-8,10H,9H2,1H3,(H2,28,29,30)