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

Systemtic Name: 1-[(2-methoxyphenyl)methyl]-1-methyl-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)urea Openeye Name: 1-[(2-methoxyphenyl)methyl]-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)urea CAS Name: 1-[(2-methoxyphenyl)methyl]-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)urea IUPAC Name: 1-[(2-methoxyphenyl)methyl]-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)urea Traditional Name: 3-(1-keto-2,6,7-trimethyl-4-phenyl-3-isoquinolyl)-1-methyl-1-o-anisyl-urea Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)N(C)CC3=CC=CC=C3OC)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)N(C)CC3=CC=CC=C3OC)C4=CC=CC=C4)C

InChI

InChI=1S/C28H29N3O3/c1-18-15-22-23(16-19(18)2)27(32)31(4)26(25(22)20-11-7-6-8-12-20)29-28(33)30(3)17-21-13-9-10-14-24(21)34-5/h6-16H,17H2,1-5H3,(H,29,33)