1-(3-cyanophenyl)-3-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]urea

Systemtic Name: 1-(3-cyanophenyl)-3-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]urea Openeye Name: 1-(3-cyanophenyl)-3-[[5-(3-methoxyphenyl)-8-isoquinolyl]methyl]urea CAS Name: 1-(3-cyanophenyl)-3-[[5-(3-methoxyphenyl)-8-isoquinolinyl]methyl]urea IUPAC Name: 1-(3-cyanophenyl)-3-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]urea Traditional Name: 1-(3-cyanophenyl)-3-[[5-(3-methoxyphenyl)-8-isoquinolyl]methyl]urea Formula: C25H20N4O2 MolecularWeight: 408.4519

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H20N4O2/c1-31-21-7-3-5-18(13-21)22-9-8-19(24-16-27-11-10-23(22)24)15-28-25(30)29-20-6-2-4-17(12-20)14-26/h2-13,16H,15H2,1H3,(H2,28,29,30)