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

Systemtic Name: 1-(3-methylphenyl)-3-[(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]urea Openeye Name: 1-(m-tolyl)-3-[(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]urea CAS Name: 1-(3-methylphenyl)-3-[(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[(2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]urea Traditional Name: 1-[(1-keto-2,6,7-trimethyl-4-phenyl-3-isoquinolyl)methyl]-3-(m-tolyl)urea Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCC2=C(C3=CC(=C(C=C3C(=O)N2C)C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NCC2=C(C3=CC(=C(C=C3C(=O)N2C)C)C)C4=CC=CC=C4

InChI

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