3-(aminomethyl)-2-(2-methylpropyl)-6-(4-oxidanylpiperidin-1-yl)carbonyl-4-phenyl-isoquinolin-1-one hydrochloride

Systemtic Name: 3-(aminomethyl)-2-(2-methylpropyl)-6-(4-oxidanylpiperidin-1-yl)carbonyl-4-phenyl-isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-6-(4-hydroxypiperidine-1-carbonyl)-2-isobutyl-4-phenyl-isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-6-[(4-hydroxy-1-piperidinyl)-oxomethyl]-2-(2-methylpropyl)-4-phenyl-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-6-(4-hydroxypiperidine-1-carbonyl)-2-(2-methylpropyl)-4-phenylisoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-6-(4-hydroxypiperidine-1-carbonyl)-2-isobutyl-4-phenyl-isocarbostyril hydrochloride Formula: C26H32ClN3O3 MolecularWeight: 470.00358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)N3CCC(CC3)O)C4=CC=CC=C4)CN.Cl

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)N3CCC(CC3)O)C4=CC=CC=C4)CN.Cl

InChI

InChI=1S/C26H31N3O3.ClH/c1-17(2)16-29-23(15-27)24(18-6-4-3-5-7-18)22-14-19(8-9-21(22)26(29)32)25(31)28-12-10-20(30)11-13-28;/h3-9,14,17,20,30H,10-13,15-16,27H2,1-2H3;1H