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

Systemtic Name: 1-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-3-methyl-urea hydrochloride Openeye Name: 1-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]-3-methyl-urea hydrochloride CAS Name: 1-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]-3-methylurea hydrochloride IUPAC Name: 1-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]-3-methylurea hydrochloride Traditional Name: 1-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]-3-methyl-urea hydrochloride Formula: C22H27ClN4O2 MolecularWeight: 414.92838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2.ClH/c1-14(2)13-26-19(12-23)20(15-7-5-4-6-8-15)18-11-16(25-22(28)24-3)9-10-17(18)21(26)27;/h4-11,14H,12-13,23H2,1-3H3,(H2,24,25,28);1H