1-[(4-cyanophenyl)methyl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[(4-cyanophenyl)methyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[(4-cyanophenyl)methyl]-3-(5-isoquinolyl)urea CAS Name: 1-[(4-cyanophenyl)methyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[(4-cyanophenyl)methyl]-3-isoquinolin-5-ylurea Traditional Name: 1-(4-cyanobenzyl)-3-(5-isoquinolyl)urea Formula: C18H14N4O MolecularWeight: 302.32996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)NCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)NCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H14N4O/c19-10-13-4-6-14(7-5-13)11-21-18(23)22-17-3-1-2-15-12-20-9-8-16(15)17/h1-9,12H,11H2,(H2,21,22,23)