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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-1-methyl-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)urea Openeye Name: 1-[(2-chlorophenyl)methyl]-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)urea CAS Name: 1-[(2-chlorophenyl)methyl]-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)urea IUPAC Name: 1-[(2-chlorophenyl)methyl]-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)urea Traditional Name: 1-(2-chlorobenzyl)-3-(1-keto-2,6,7-trimethyl-4-phenyl-3-isoquinolyl)-1-methyl-urea Formula: C27H26ClN3O2 MolecularWeight: 459.96724

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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=C3Cl)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=C3Cl)C4=CC=CC=C4)C

InChI

InChI=1S/C27H26ClN3O2/c1-17-14-21-22(15-18(17)2)26(32)31(4)25(24(21)19-10-6-5-7-11-19)29-27(33)30(3)16-20-12-8-9-13-23(20)28/h5-15H,16H2,1-4H3,(H,29,33)