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

Systemtic Name: 3-[4-(2,6-dimethylphenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]-1-methyl-1-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[4-(2,6-dimethylphenyl)-2-methyl-1-oxo-3-isoquinolyl]-1-methyl-urea CAS Name: 3-[4-(2,6-dimethylphenyl)-2-methyl-1-oxo-3-isoquinolinyl]-1-methyl-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[4-(2,6-dimethylphenyl)-2-methyl-1-oxoisoquinolin-3-yl]-1-methylurea Traditional Name: 1-benzyl-3-[4-(2,6-dimethylphenyl)-1-keto-2-methyl-3-isoquinolyl]-1-methyl-urea Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O2/c1-18-11-10-12-19(2)23(18)24-21-15-8-9-16-22(21)26(31)30(4)25(24)28-27(32)29(3)17-20-13-6-5-7-14-20/h5-16H,17H2,1-4H3,(H,28,32)