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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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