methyl (1S,2R)-1-cyano-3-phenyl-2,10b-dihydro-1H-pyrazolo[5,1-a]isoquinoline-2-carboxylate

Systemtic Name: methyl (1S,2R)-1-cyano-3-phenyl-2,10b-dihydro-1H-pyrazolo[5,1-a]isoquinoline-2-carboxylate Openeye Name: methyl (1S,2R)-1-cyano-3-phenyl-2,10b-dihydro-1H-pyrazolo[5,1-a]isoquinoline-2-carboxylate CAS Name: (1S,2R)-1-cyano-3-phenyl-2,10b-dihydro-1H-pyrazolo[5,1-a]isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl (1S,2R)-1-cyano-3-phenyl-2,10b-dihydro-1H-pyrazolo[5,1-a]isoquinoline-2-carboxylate Traditional Name: (1S,2R)-1-cyano-3-phenyl-2,10b-dihydro-1H-pyrazol[5,1-a]isoquinoline-2-carboxylic acid methyl ester Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2C3=CC=CC=C3C=CN2N1C4=CC=CC=C4)C#N

Isomeric SMILES

COC(=O)[C@H]1[C@H](C2C3=CC=CC=C3C=CN2N1C4=CC=CC=C4)C#N

InChI

InChI=1S/C20H17N3O2/c1-25-20(24)19-17(13-21)18-16-10-6-5-7-14(16)11-12-22(18)23(19)15-8-3-2-4-9-15/h2-12,17-19H,1H3/t17-,18?,19+/m0/s1