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

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)urea Openeye Name: 1-[(3-methoxyphenyl)methyl]-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)urea CAS Name: 1-[(3-methoxyphenyl)methyl]-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)urea IUPAC Name: 1-[(3-methoxyphenyl)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-m-anisyl-urea Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)NCC3=CC(=CC=C3)OC)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)NCC3=CC(=CC=C3)OC)C4=CC=CC=C4)C

InChI

InChI=1S/C27H27N3O3/c1-17-13-22-23(14-18(17)2)26(31)30(3)25(24(22)20-10-6-5-7-11-20)29-27(32)28-16-19-9-8-12-21(15-19)33-4/h5-15H,16H2,1-4H3,(H2,28,29,32)