1-[(3,5-dimethylphenyl)methyl]-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)urea

Systemtic Name: 1-[(3,5-dimethylphenyl)methyl]-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)urea Openeye Name: 1-[(3,5-dimethylphenyl)methyl]-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)urea CAS Name: 1-[(3,5-dimethylphenyl)methyl]-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)urea IUPAC Name: 1-[(3,5-dimethylphenyl)methyl]-3-(2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)urea Traditional Name: 1-(3,5-dimethylbenzyl)-3-(1-keto-2,6,7-trimethyl-4-phenyl-3-isoquinolyl)urea Formula: C28H29N3O2 MolecularWeight: 439.54876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CNC(=O)NC2=C(C3=CC(=C(C=C3C(=O)N2C)C)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)CNC(=O)NC2=C(C3=CC(=C(C=C3C(=O)N2C)C)C)C4=CC=CC=C4)C

InChI

InChI=1S/C28H29N3O2/c1-17-11-18(2)13-21(12-17)16-29-28(33)30-26-25(22-9-7-6-8-10-22)23-14-19(3)20(4)15-24(23)27(32)31(26)5/h6-15H,16H2,1-5H3,(H2,29,30,33)