1-ethyl-1-(2-ethylphenyl)-3-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]urea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(CC)C(=O)NC2=CN(C(=O)C3=CC=CC=C32)CC(C)C

Isomeric SMILES

CCC1=CC=CC=C1N(CC)C(=O)NC2=CN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

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