methyl (1S,10bR)-1-chloranyl-3-pyridin-2-yl-2,10b-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate

Systemtic Name: methyl (1S,10bR)-1-chloranyl-3-pyridin-2-yl-2,10b-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate Openeye Name: methyl (1S,10bR)-1-chloro-3-(2-pyridyl)-2,10b-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate CAS Name: (1S,10bR)-1-chloro-3-(2-pyridinyl)-2,10b-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylic acid methyl ester IUPAC Name: methyl (1S,10bR)-1-chloro-3-pyridin-2-yl-2,10b-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate Traditional Name: (1S,10bR)-1-chloro-3-(2-pyridyl)-2,10b-dihydropyrazol[5,1-a]isoquinoline-1-carboxylic acid methyl ester Formula: C18H16ClN3O2 MolecularWeight: 341.79154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CN(N2C1C3=CC=CC=C3C=C2)C4=CC=CC=N4)Cl

Isomeric SMILES

COC(=O)[C@@]1(CN(N2[C@@H]1C3=CC=CC=C3C=C2)C4=CC=CC=N4)Cl

InChI

InChI=1S/C18H16ClN3O2/c1-24-17(23)18(19)12-22(15-8-4-5-10-20-15)21-11-9-13-6-2-3-7-14(13)16(18)21/h2-11,16H,12H2,1H3/t16-,18+/m1/s1