1-isoquinolin-3-yl-3-(4-methylphenyl)urea

Systemtic Name: 1-isoquinolin-3-yl-3-(4-methylphenyl)urea Openeye Name: 1-(3-isoquinolyl)-3-(p-tolyl)urea CAS Name: 1-(3-isoquinolinyl)-3-(4-methylphenyl)urea IUPAC Name: 1-isoquinolin-3-yl-3-(4-methylphenyl)urea Traditional Name: 1-(3-isoquinolyl)-3-(p-tolyl)urea Formula: C17H15N3O MolecularWeight: 277.3205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=CC3=CC=CC=C3C=N2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=CC3=CC=CC=C3C=N2

InChI

InChI=1S/C17H15N3O/c1-12-6-8-15(9-7-12)19-17(21)20-16-10-13-4-2-3-5-14(13)11-18-16/h2-11H,1H3,(H2,18,19,20,21)