3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]carbonyl-2H-isoquinolin-1-one

Systemtic Name: 3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]carbonyl-2H-isoquinolin-1-one Openeye Name: 3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one CAS Name: 3-[[2-(4-ethoxyphenyl)-1-pyrrolidinyl]-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one Traditional Name: 3-(2-p-phenetylpyrrolidine-1-carbonyl)isocarbostyril Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2C(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2C(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H22N2O3/c1-2-27-17-11-9-15(10-12-17)20-8-5-13-24(20)22(26)19-14-16-6-3-4-7-18(16)21(25)23-19/h3-4,6-7,9-12,14,20H,2,5,8,13H2,1H3,(H,23,25)