1-(2-ethyl-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)-3-(3-methylphenyl)urea

Systemtic Name: 1-(2-ethyl-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)-3-(3-methylphenyl)urea Openeye Name: 1-(2-ethyl-6,7-dimethyl-1-oxo-4-phenyl-3-isoquinolyl)-3-(m-tolyl)urea CAS Name: 1-(2-ethyl-6,7-dimethyl-1-oxo-4-phenyl-3-isoquinolinyl)-3-(3-methylphenyl)urea IUPAC Name: 1-(2-ethyl-6,7-dimethyl-1-oxo-4-phenylisoquinolin-3-yl)-3-(3-methylphenyl)urea Traditional Name: 1-(2-ethyl-1-keto-6,7-dimethyl-4-phenyl-3-isoquinolyl)-3-(m-tolyl)urea Formula: C27H27N3O2 MolecularWeight: 425.52218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC(=C(C=C2C1=O)C)C)C3=CC=CC=C3)NC(=O)NC4=CC=CC(=C4)C

Isomeric SMILES

CCN1C(=C(C2=CC(=C(C=C2C1=O)C)C)C3=CC=CC=C3)NC(=O)NC4=CC=CC(=C4)C

InChI

InChI=1S/C27H27N3O2/c1-5-30-25(29-27(32)28-21-13-9-10-17(2)14-21)24(20-11-7-6-8-12-20)22-15-18(3)19(4)16-23(22)26(30)31/h6-16H,5H2,1-4H3,(H2,28,29,32)