4-phenyl-2-(2-pyrrolidin-1-ylethyl)isoquinolin-1-one

Systemtic Name: 4-phenyl-2-(2-pyrrolidin-1-ylethyl)isoquinolin-1-one Openeye Name: 4-phenyl-2-(2-pyrrolidin-1-ylethyl)isoquinolin-1-one CAS Name: 4-phenyl-2-[2-(1-pyrrolidinyl)ethyl]-1-isoquinolinone IUPAC Name: 4-phenyl-2-(2-pyrrolidin-1-ylethyl)isoquinolin-1-one Traditional Name: 4-phenyl-2-(2-pyrrolidinoethyl)isocarbostyril Formula: C21H22N2O MolecularWeight: 318.41218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2C=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCN2C=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O/c24-21-19-11-5-4-10-18(19)20(17-8-2-1-3-9-17)16-23(21)15-14-22-12-6-7-13-22/h1-5,8-11,16H,6-7,12-15H2