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

Systemtic Name: 1-methyl-1-phenethyl-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)urea Openeye Name: 1-methyl-1-phenethyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)urea CAS Name: 1-methyl-1-phenethyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)urea IUPAC Name: 1-methyl-1-phenethyl-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-phenethyl-urea Formula: C28H29N3O2 MolecularWeight: 439.54876

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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)CCC3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)N(C)CCC3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H29N3O2/c1-19-17-23-24(18-20(19)2)27(32)31(4)26(25(23)22-13-9-6-10-14-22)29-28(33)30(3)16-15-21-11-7-5-8-12-21/h5-14,17-18H,15-16H2,1-4H3,(H,29,33)