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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(N(N2C1C3=CC=CC=C3C=C2)C4=CC=CC=C4)C#N

Isomeric SMILES

COC(=O)[C@@H]1[C@@H](N(N2[C@@H]1C3=CC=CC=C3C=C2)C4=CC=CC=C4)C#N

InChI

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