1-phenyl-3-(3-pyridin-2-ylisoquinolin-1-yl)urea

Systemtic Name: 1-phenyl-3-(3-pyridin-2-ylisoquinolin-1-yl)urea Openeye Name: 1-phenyl-3-[3-(2-pyridyl)-1-isoquinolyl]urea CAS Name: 1-phenyl-3-[3-(2-pyridinyl)-1-isoquinolinyl]urea IUPAC Name: 1-phenyl-3-(3-pyridin-2-ylisoquinolin-1-yl)urea Traditional Name: 1-phenyl-3-[3-(2-pyridyl)-1-isoquinolyl]urea Formula: C21H16N4O MolecularWeight: 340.37794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=NC(=CC3=CC=CC=C32)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=NC(=CC3=CC=CC=C32)C4=CC=CC=N4

InChI

InChI=1S/C21H16N4O/c26-21(23-16-9-2-1-3-10-16)25-20-17-11-5-4-8-15(17)14-19(24-20)18-12-6-7-13-22-18/h1-14H,(H2,23,24,25,26)