dimethyl (1S,2R,10bS)-3-pyridin-2-yl-2,10b-dihydro-1H-pyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate

Systemtic Name: dimethyl (1S,2R,10bS)-3-pyridin-2-yl-2,10b-dihydro-1H-pyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate Openeye Name: dimethyl (1S,2R,10bS)-3-(2-pyridyl)-2,10b-dihydro-1H-pyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate CAS Name: (1S,2R,10bS)-3-(2-pyridinyl)-2,10b-dihydro-1H-pyrazolo[5,1-a]isoquinoline-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,2R,10bS)-3-pyridin-2-yl-2,10b-dihydro-1H-pyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate Traditional Name: (1S,2R,10bS)-3-(2-pyridyl)-2,10b-dihydro-1H-pyrazol[5,1-a]isoquinoline-1,2-dicarboxylic acid dimethyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2C3=CC=CC=C3C=CN2N(C1C(=O)OC)C4=CC=CC=N4

Isomeric SMILES

COC(=O)[C@H]1[C@H]2C3=CC=CC=C3C=CN2N([C@H]1C(=O)OC)C4=CC=CC=N4

InChI

InChI=1S/C20H19N3O4/c1-26-19(24)16-17-14-8-4-3-7-13(14)10-12-22(17)23(18(16)20(25)27-2)15-9-5-6-11-21-15/h3-12,16-18H,1-2H3/t16-,17+,18+/m0/s1