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

Systemtic Name: 2-[(3S)-1-cyclobutylpiperidin-3-yl]-6-(4-pyrrolidin-1-ylcarbonylphenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[(3S)-1-cyclobutyl-3-piperidyl]-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-[(3S)-1-cyclobutyl-3-piperidinyl]-6-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[(3S)-1-cyclobutylpiperidin-3-yl]-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[(3S)-1-cyclobutyl-3-piperidyl]-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisocarbostyril Formula: C29H35N3O2 MolecularWeight: 457.6071

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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)C5CCCN(C5)C6CCC6

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)C3=CC4=C(C=C3)C(=O)N(CC4)[C@H]5CCCN(C5)C6CCC6

InChI

InChI=1S/C29H35N3O2/c33-28(30-15-1-2-16-30)22-10-8-21(9-11-22)23-12-13-27-24(19-23)14-18-32(29(27)34)26-7-4-17-31(20-26)25-5-3-6-25/h8-13,19,25-26H,1-7,14-18,20H2/t26-/m0/s1