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

Systemtic Name: 2-[(3S)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-6-(4-pyrrolidin-1-ylcarbonylphenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[(3S)-1-(3-furylmethyl)pyrrolidin-3-yl]-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-[(3S)-1-(3-furanylmethyl)-3-pyrrolidinyl]-6-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[(3S)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[(3S)-1-(3-furfuryl)pyrrolidin-3-yl]-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisocarbostyril Formula: C29H31N3O3 MolecularWeight: 469.57474

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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=COC=C6

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=COC=C6

InChI

InChI=1S/C29H31N3O3/c33-28(31-12-1-2-13-31)23-5-3-22(4-6-23)24-7-8-27-25(17-24)9-15-32(29(27)34)26-10-14-30(19-26)18-21-11-16-35-20-21/h3-8,11,16-17,20,26H,1-2,9-10,12-15,18-19H2/t26-/m0/s1