1-methyl-3-[2-methyl-4-(2-methylphenyl)-1-oxidanylidene-isoquinolin-3-yl]-1-(phenylmethyl)urea

Systemtic Name: 1-methyl-3-[2-methyl-4-(2-methylphenyl)-1-oxidanylidene-isoquinolin-3-yl]-1-(phenylmethyl)urea Openeye Name: 1-benzyl-1-methyl-3-[2-methyl-4-(o-tolyl)-1-oxo-3-isoquinolyl]urea CAS Name: 1-methyl-3-[2-methyl-4-(2-methylphenyl)-1-oxo-3-isoquinolinyl]-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-1-methyl-3-[2-methyl-4-(2-methylphenyl)-1-oxoisoquinolin-3-yl]urea Traditional Name: 1-benzyl-3-[1-keto-2-methyl-4-(o-tolyl)-3-isoquinolyl]-1-methyl-urea Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)NC(=O)N(C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)NC(=O)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2/c1-18-11-7-8-14-20(18)23-21-15-9-10-16-22(21)25(30)29(3)24(23)27-26(31)28(2)17-19-12-5-4-6-13-19/h4-16H,17H2,1-3H3,(H,27,31)