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

Systemtic Name: 1-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-3-methoxy-urea hydrochloride Openeye Name: 1-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]-3-methoxy-urea hydrochloride CAS Name: 1-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]-3-methoxyurea hydrochloride IUPAC Name: 1-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]-3-methoxyurea hydrochloride Traditional Name: 1-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]-3-methoxy-urea hydrochloride Formula: C22H27ClN4O3 MolecularWeight: 430.92778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3.ClH/c1-14(2)13-26-19(12-23)20(15-7-5-4-6-8-15)18-11-16(24-22(28)25-29-3)9-10-17(18)21(26)27;/h4-11,14H,12-13,23H2,1-3H3,(H2,24,25,28);1H