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

Systemtic Name: 2-[(3S)-piperidin-3-yl]-6-(4-pyrrolidin-1-ylcarbonylphenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[(3S)-3-piperidyl]-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]-2-[(3S)-3-piperidinyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[(3S)-piperidin-3-yl]-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[(3S)-3-piperidyl]-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisocarbostyril Formula: C25H29N3O2 MolecularWeight: 403.51666

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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)C5CCCNC5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)C3=CC4=C(C=C3)C(=O)N(CC4)[C@H]5CCCNC5

InChI

InChI=1S/C25H29N3O2/c29-24(27-13-1-2-14-27)19-7-5-18(6-8-19)20-9-10-23-21(16-20)11-15-28(25(23)30)22-4-3-12-26-17-22/h5-10,16,22,26H,1-4,11-15,17H2/t22-/m0/s1