1-(5-chloranyl-2-methyl-phenyl)-3-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]urea

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-3-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]urea Openeye Name: 1-(5-chloro-2-methyl-phenyl)-3-(2-isobutyl-1-oxo-4-isoquinolyl)urea CAS Name: 1-(5-chloro-2-methylphenyl)-3-[2-(2-methylpropyl)-1-oxo-4-isoquinolinyl]urea IUPAC Name: 1-(5-chloro-2-methylphenyl)-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea Traditional Name: 1-(5-chloro-2-methyl-phenyl)-3-(2-isobutyl-1-keto-4-isoquinolyl)urea Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)NC2=CN(C(=O)C3=CC=CC=C32)CC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)NC2=CN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C21H22ClN3O2/c1-13(2)11-25-12-19(16-6-4-5-7-17(16)20(25)26)24-21(27)23-18-10-15(22)9-8-14(18)3/h4-10,12-13H,11H2,1-3H3,(H2,23,24,27)