3-(aminomethyl)-2-(2-methylpropyl)-4-phenyl-6-pyrrolidin-1-ylcarbonyl-isoquinolin-1-one hydrochloride

Systemtic Name: 3-(aminomethyl)-2-(2-methylpropyl)-4-phenyl-6-pyrrolidin-1-ylcarbonyl-isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-2-isobutyl-4-phenyl-6-(pyrrolidine-1-carbonyl)isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-2-(2-methylpropyl)-6-[oxo(1-pyrrolidinyl)methyl]-4-phenyl-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-2-(2-methylpropyl)-4-phenyl-6-(pyrrolidine-1-carbonyl)isoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-2-isobutyl-4-phenyl-6-(pyrrolidine-1-carbonyl)isocarbostyril hydrochloride Formula: C25H30ClN3O2 MolecularWeight: 439.9776

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)N3CCCC3)C4=CC=CC=C4)CN.Cl

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)N3CCCC3)C4=CC=CC=C4)CN.Cl

InChI

InChI=1S/C25H29N3O2.ClH/c1-17(2)16-28-22(15-26)23(18-8-4-3-5-9-18)21-14-19(10-11-20(21)25(28)30)24(29)27-12-6-7-13-27;/h3-5,8-11,14,17H,6-7,12-13,15-16,26H2,1-2H3;1H