1-(3-chloranylisoquinolin-5-yl)-3-(phenylmethyl)urea

Systemtic Name: 1-(3-chloranylisoquinolin-5-yl)-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(3-chloro-5-isoquinolyl)urea CAS Name: 1-(3-chloro-5-isoquinolinyl)-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-(3-chloroisoquinolin-5-yl)urea Traditional Name: 1-benzyl-3-(3-chloro-5-isoquinolyl)urea Formula: C17H14ClN3O MolecularWeight: 311.76556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC2=CC=CC3=CN=C(C=C32)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC2=CC=CC3=CN=C(C=C32)Cl

InChI

InChI=1S/C17H14ClN3O/c18-16-9-14-13(11-19-16)7-4-8-15(14)21-17(22)20-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,20,21,22)