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

Systemtic Name: 1-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]urea hydrochloride Openeye Name: [3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]urea hydrochloride CAS Name: [3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]urea hydrochloride IUPAC Name: [3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]urea hydrochloride Traditional Name: [3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]urea hydrochloride Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2.ClH/c1-13(2)12-25-18(11-22)19(14-6-4-3-5-7-14)17-10-15(24-21(23)27)8-9-16(17)20(25)26;/h3-10,13H,11-12,22H2,1-2H3,(H3,23,24,27);1H