1-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one

Systemtic Name: 1-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(4-chlorophenyl)-4-[2-(1-pyrrolidinyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(4-chlorophenyl)-4-(2-pyrrolidinoethyl)-2,4-dihydro-1H-isoquinolin-3-one Formula: C21H23ClN2O MolecularWeight: 354.87312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC2C3=CC=CC=C3C(NC2=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)CCC2C3=CC=CC=C3C(NC2=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H23ClN2O/c22-16-9-7-15(8-10-16)20-18-6-2-1-5-17(18)19(21(25)23-20)11-14-24-12-3-4-13-24/h1-2,5-10,19-20H,3-4,11-14H2,(H,23,25)