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

Systemtic Name: 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-(4-pyrrolidin-1-ylcarbonylphenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-[(3S)-1-(cyclopropylmethyl)-3-pyrrolidinyl]-6-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisocarbostyril Formula: C28H33N3O2 MolecularWeight: 443.58052

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)CC6CC6

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)C3=CC4=C(C=C3)C(=O)N(CC4)[C@H]5CCN(C5)CC6CC6

InChI

InChI=1S/C28H33N3O2/c32-27(30-13-1-2-14-30)22-7-5-21(6-8-22)23-9-10-26-24(17-23)11-16-31(28(26)33)25-12-15-29(19-25)18-20-3-4-20/h5-10,17,20,25H,1-4,11-16,18-19H2/t25-/m0/s1