6-(4-pyrrolidin-1-ylcarbonylphenyl)-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6-(4-pyrrolidin-1-ylcarbonylphenyl)-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 6-[4-(pyrrolidine-1-carbonyl)phenyl]-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 6-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]-2-[2-(1-pyrrolidinyl)ethyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6-[4-(pyrrolidine-1-carbonyl)phenyl]-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 6-[4-(pyrrolidine-1-carbonyl)phenyl]-2-(2-pyrrolidinoethyl)-3,4-dihydroisocarbostyril Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2CCC3=C(C2=O)C=CC(=C3)C4=CC=C(C=C4)C(=O)N5CCCC5

Isomeric SMILES

C1CCN(C1)CCN2CCC3=C(C2=O)C=CC(=C3)C4=CC=C(C=C4)C(=O)N5CCCC5

InChI

InChI=1S/C26H31N3O2/c30-25(28-14-3-4-15-28)21-7-5-20(6-8-21)22-9-10-24-23(19-22)11-16-29(26(24)31)18-17-27-12-1-2-13-27/h5-10,19H,1-4,11-18H2