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

Systemtic Name: 1-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]-3-(3-propan-2-yloxyphenyl)urea Openeye Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]-3-(3-isopropoxyphenyl)urea CAS Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]-3-(3-propan-2-yloxyphenyl)urea IUPAC Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-(3-propan-2-yloxyphenyl)urea Traditional Name: 1-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methyl]-3-(3-isopropoxyphenyl)urea Formula: C27H26ClN3O3 MolecularWeight: 475.96664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClN3O3/c1-17(2)34-21-11-7-10-20(15-21)30-27(33)29-16-24-25(18-8-5-4-6-9-18)23-14-19(28)12-13-22(23)26(32)31(24)3/h4-15,17H,16H2,1-3H3,(H2,29,30,33)