3-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-1,1-dimethyl-urea hydrochloride

Systemtic Name: 3-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-1,1-dimethyl-urea hydrochloride Openeye Name: 3-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]-1,1-dimethyl-urea hydrochloride CAS Name: 3-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]-1,1-dimethylurea hydrochloride IUPAC Name: 3-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]-1,1-dimethylurea hydrochloride Traditional Name: 3-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]-1,1-dimethyl-urea hydrochloride Formula: C23H29ClN4O2 MolecularWeight: 428.95496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)NC(=O)N(C)C)C3=CC=CC=C3)CN.Cl

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)NC(=O)N(C)C)C3=CC=CC=C3)CN.Cl

InChI

InChI=1S/C23H28N4O2.ClH/c1-15(2)14-27-20(13-24)21(16-8-6-5-7-9-16)19-12-17(25-23(29)26(3)4)10-11-18(19)22(27)28;/h5-12,15H,13-14,24H2,1-4H3,(H,25,29);1H