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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=C(N(C(=O)C3=CC(=C(C=C32)C)C)C)NC(=O)N(C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=C(N(C(=O)C3=CC(=C(C=C32)C)C)C)NC(=O)N(C)CC4=CC=CC=C4

InChI

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