7-chloranyl-4-[1-(phenylcarbonyl)pyrrolidin-3-yl]-2H-isoquinolin-1-one

Systemtic Name: 7-chloranyl-4-[1-(phenylcarbonyl)pyrrolidin-3-yl]-2H-isoquinolin-1-one Openeye Name: 4-(1-benzoylpyrrolidin-3-yl)-7-chloro-2H-isoquinolin-1-one CAS Name: 4-(1-benzoyl-3-pyrrolidinyl)-7-chloro-2H-isoquinolin-1-one IUPAC Name: 4-(1-benzoylpyrrolidin-3-yl)-7-chloro-2H-isoquinolin-1-one Traditional Name: 4-(1-benzoylpyrrolidin-3-yl)-7-chloro-isocarbostyril Formula: C20H17ClN2O2 MolecularWeight: 352.81418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2=CNC(=O)C3=C2C=CC(=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC1C2=CNC(=O)C3=C2C=CC(=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H17ClN2O2/c21-15-6-7-16-17(10-15)19(24)22-11-18(16)14-8-9-23(12-14)20(25)13-4-2-1-3-5-13/h1-7,10-11,14H,8-9,12H2,(H,22,24)