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

Systemtic Name: 1-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea Openeye Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]-3-(m-tolyl)urea CAS Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-methylphenyl)urea Traditional Name: 1-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methyl]-3-(m-tolyl)urea Formula: C25H22ClN3O2 MolecularWeight: 431.91408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C25H22ClN3O2/c1-16-7-6-10-19(13-16)28-25(31)27-15-22-23(17-8-4-3-5-9-17)21-14-18(26)11-12-20(21)24(30)29(22)2/h3-14H,15H2,1-2H3,(H2,27,28,31)