1-[6,7-bis(chloranyl)-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[6,7-bis(chloranyl)-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-(6,7-dichloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)-3-(m-tolyl)urea CAS Name: 1-(6,7-dichloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)-3-(3-methylphenyl)urea IUPAC Name: 1-(6,7-dichloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)-3-(3-methylphenyl)urea Traditional Name: 1-(6,7-dichloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)-3-(m-tolyl)urea Formula: C24H19Cl2N3O2 MolecularWeight: 452.33256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=C(C3=CC(=C(C=C3C(=O)N2C)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=C(C3=CC(=C(C=C3C(=O)N2C)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H19Cl2N3O2/c1-14-7-6-10-16(11-14)27-24(31)28-22-21(15-8-4-3-5-9-15)17-12-19(25)20(26)13-18(17)23(30)29(22)2/h3-13H,1-2H3,(H2,27,28,31)