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

Systemtic Name: 1-[(3,5-dimethylphenyl)methyl]-1-methyl-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)urea Openeye Name: 1-[(3,5-dimethylphenyl)methyl]-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)urea CAS Name: 1-[(3,5-dimethylphenyl)methyl]-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)urea IUPAC Name: 1-[(3,5-dimethylphenyl)methyl]-1-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)-1-methyl-urea Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O2/c1-18-12-19(2)14-22(13-18)17-31(5)29(34)30-27-26(23-10-8-7-9-11-23)24-15-20(3)21(4)16-25(24)28(33)32(27)6/h7-16H,17H2,1-6H3,(H,30,34)