1-(2,5-dimethylphenyl)-1-ethyl-3-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]urea

Systemtic Name: 1-(2,5-dimethylphenyl)-1-ethyl-3-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]urea Openeye Name: 1-(2,5-dimethylphenyl)-1-ethyl-3-(2-isobutyl-1-oxo-4-isoquinolyl)urea CAS Name: 1-(2,5-dimethylphenyl)-1-ethyl-3-[2-(2-methylpropyl)-1-oxo-4-isoquinolinyl]urea IUPAC Name: 1-(2,5-dimethylphenyl)-1-ethyl-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea Traditional Name: 1-(2,5-dimethylphenyl)-1-ethyl-3-(2-isobutyl-1-keto-4-isoquinolyl)urea Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=CC(=C1)C)C)C(=O)NC2=CN(C(=O)C3=CC=CC=C32)CC(C)C

Isomeric SMILES

CCN(C1=C(C=CC(=C1)C)C)C(=O)NC2=CN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C24H29N3O2/c1-6-27(22-13-17(4)11-12-18(22)5)24(29)25-21-15-26(14-16(2)3)23(28)20-10-8-7-9-19(20)21/h7-13,15-16H,6,14H2,1-5H3,(H,25,29)