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

Systemtic Name: 1-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]-3-[2-(dimethylaminomethyl)phenyl]urea Openeye Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]-3-[2-(dimethylaminomethyl)phenyl]urea CAS Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]-3-[2-(dimethylaminomethyl)phenyl]urea IUPAC Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-[2-(dimethylaminomethyl)phenyl]urea Traditional Name: 1-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methyl]-3-[2-(dimethylaminomethyl)phenyl]urea Formula: C27H27ClN4O2 MolecularWeight: 474.98188

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CNC(=O)NC4=CC=CC=C4CN(C)C

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CNC(=O)NC4=CC=CC=C4CN(C)C

InChI

InChI=1S/C27H27ClN4O2/c1-31(2)17-19-11-7-8-12-23(19)30-27(34)29-16-24-25(18-9-5-4-6-10-18)22-15-20(28)13-14-21(22)26(33)32(24)3/h4-15H,16-17H2,1-3H3,(H2,29,30,34)