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

Systemtic Name: 1-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]-3-[[3-(dimethylaminomethyl)phenyl]methyl]urea Openeye Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]-3-[[3-(dimethylaminomethyl)phenyl]methyl]urea CAS Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]-3-[[3-(dimethylaminomethyl)phenyl]methyl]urea IUPAC Name: 1-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]-3-[[3-(dimethylaminomethyl)phenyl]methyl]urea Traditional Name: 1-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methyl]-3-[3-(dimethylaminomethyl)benzyl]urea Formula: C28H29ClN4O2 MolecularWeight: 489.00846

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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)NCC4=CC(=CC=C4)CN(C)C

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)CNC(=O)NCC4=CC(=CC=C4)CN(C)C

InChI

InChI=1S/C28H29ClN4O2/c1-32(2)18-20-9-7-8-19(14-20)16-30-28(35)31-17-25-26(21-10-5-4-6-11-21)24-15-22(29)12-13-23(24)27(34)33(25)3/h4-15H,16-18H2,1-3H3,(H2,30,31,35)