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

Systemtic Name: 1-(2-ethylphenyl)-1-methyl-3-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]urea Openeye Name: 1-(2-ethylphenyl)-3-(2-isobutyl-1-oxo-4-isoquinolyl)-1-methyl-urea CAS Name: 1-(2-ethylphenyl)-1-methyl-3-[2-(2-methylpropyl)-1-oxo-4-isoquinolinyl]urea IUPAC Name: 1-(2-ethylphenyl)-1-methyl-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea Traditional Name: 1-(2-ethylphenyl)-3-(2-isobutyl-1-keto-4-isoquinolyl)-1-methyl-urea Formula: C23H27N3O2 MolecularWeight: 377.47938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2/c1-5-17-10-6-9-13-21(17)25(4)23(28)24-20-15-26(14-16(2)3)22(27)19-12-8-7-11-18(19)20/h6-13,15-16H,5,14H2,1-4H3,(H,24,28)