3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]carbonyl-2H-isoquinolin-1-one

Systemtic Name: 3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]carbonyl-2H-isoquinolin-1-one Openeye Name: 3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one CAS Name: 3-[[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one Traditional Name: 3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]isocarbostyril Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H22N2O4/c1-27-15-9-10-20(28-2)17(13-15)19-8-5-11-24(19)22(26)18-12-14-6-3-4-7-16(14)21(25)23-18/h3-4,6-7,9-10,12-13,19H,5,8,11H2,1-2H3,(H,23,25)