6-[4-(azetidin-1-ylcarbonyl)phenyl]-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6-[4-(azetidin-1-ylcarbonyl)phenyl]-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 6-[4-(azetidine-1-carbonyl)phenyl]-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 6-[4-[1-azetidinyl(oxo)methyl]phenyl]-2-[2-(1-pyrrolidinyl)ethyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6-[4-(azetidine-1-carbonyl)phenyl]-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 6-[4-(azetidine-1-carbonyl)phenyl]-2-(2-pyrrolidinoethyl)-3,4-dihydroisocarbostyril Formula: C25H29N3O2 MolecularWeight: 403.51666

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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)N5CCC5

Isomeric SMILES

C1CCN(C1)CCN2CCC3=C(C2=O)C=CC(=C3)C4=CC=C(C=C4)C(=O)N5CCC5

InChI

InChI=1S/C25H29N3O2/c29-24(27-13-3-14-27)20-6-4-19(5-7-20)21-8-9-23-22(18-21)10-15-28(25(23)30)17-16-26-11-1-2-12-26/h4-9,18H,1-3,10-17H2