1-(2-cyano-1-phenyl-ethyl)-3-isoquinolin-5-yl-urea

Systemtic Name: 1-(2-cyano-1-phenyl-ethyl)-3-isoquinolin-5-yl-urea Openeye Name: 1-(2-cyano-1-phenyl-ethyl)-3-(5-isoquinolyl)urea CAS Name: 1-(2-cyano-1-phenylethyl)-3-(5-isoquinolinyl)urea IUPAC Name: 1-(2-cyano-1-phenylethyl)-3-isoquinolin-5-ylurea Traditional Name: 1-(2-cyano-1-phenyl-ethyl)-3-(5-isoquinolyl)urea Formula: C19H16N4O MolecularWeight: 316.35654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC#N)NC(=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CC#N)NC(=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C19H16N4O/c20-11-9-17(14-5-2-1-3-6-14)22-19(24)23-18-8-4-7-15-13-21-12-10-16(15)18/h1-8,10,12-13,17H,9H2,(H2,22,23,24)