6-(4-pyrrolidin-1-ylcarbonylphenyl)-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6-(4-pyrrolidin-1-ylcarbonylphenyl)-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6-[4-(pyrrolidine-1-carbonyl)phenyl]-2-[(3S)-1-(2-thienylmethyl)pyrrolidin-3-yl]-3,4-dihydroisoquinolin-1-one CAS Name: 6-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]-2-[(3S)-1-(thiophen-2-ylmethyl)-3-pyrrolidinyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6-[4-(pyrrolidine-1-carbonyl)phenyl]-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6-[4-(pyrrolidine-1-carbonyl)phenyl]-2-[(3S)-1-(2-thenyl)pyrrolidin-3-yl]-3,4-dihydroisocarbostyril Formula: C29H31N3O2S MolecularWeight: 485.64034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)C3=CC4=C(C=C3)C(=O)N(CC4)C5CCN(C5)CC6=CC=CS6

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)C3=CC4=C(C=C3)C(=O)N(CC4)[C@H]5CCN(C5)CC6=CC=CS6

InChI

InChI=1S/C29H31N3O2S/c33-28(31-13-1-2-14-31)22-7-5-21(6-8-22)23-9-10-27-24(18-23)11-16-32(29(27)34)25-12-15-30(19-25)20-26-4-3-17-35-26/h3-10,17-18,25H,1-2,11-16,19-20H2/t25-/m0/s1