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

Systemtic Name: 1-[3-(dimethylaminomethyl)phenyl]-3-[(2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methyl]urea hydrochloride Openeye Name: 1-[3-(dimethylaminomethyl)phenyl]-3-[(2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]urea hydrochloride CAS Name: 1-[3-(dimethylaminomethyl)phenyl]-3-[(2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methyl]urea hydrochloride IUPAC Name: 1-[3-(dimethylaminomethyl)phenyl]-3-[(2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methyl]urea hydrochloride Traditional Name: 1-[3-(dimethylaminomethyl)phenyl]-3-[(1-keto-2-methyl-4-phenyl-3-isoquinolyl)methyl]urea hydrochloride Formula: C27H29ClN4O2 MolecularWeight: 476.99776

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)CNC(=O)NC4=CC=CC(=C4)CN(C)C.Cl

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)CNC(=O)NC4=CC=CC(=C4)CN(C)C.Cl

InChI

InChI=1S/C27H28N4O2.ClH/c1-30(2)18-19-10-9-13-21(16-19)29-27(33)28-17-24-25(20-11-5-4-6-12-20)22-14-7-8-15-23(22)26(32)31(24)3;/h4-16H,17-18H2,1-3H3,(H2,28,29,33);1H