3-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]-1-methyl-1-(3-propan-2-yloxyphenyl)urea

Systemtic Name: 3-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]-1-methyl-1-(3-propan-2-yloxyphenyl)urea Openeye Name: 3-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]-1-(3-isopropoxyphenyl)-1-methyl-urea CAS Name: 3-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]-1-methyl-1-(3-propan-2-yloxyphenyl)urea IUPAC Name: 3-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-1-methyl-1-(3-propan-2-yloxyphenyl)urea Traditional Name: 3-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methyl]-1-(3-isopropoxyphenyl)-1-methyl-urea Formula: C28H28ClN3O3 MolecularWeight: 489.99322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)N(C)C(=O)NCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)N(C)C(=O)NCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C28H28ClN3O3/c1-18(2)35-22-12-8-11-21(16-22)31(3)28(34)30-17-25-26(19-9-6-5-7-10-19)24-15-20(29)13-14-23(24)27(33)32(25)4/h5-16,18H,17H2,1-4H3,(H,30,34)