[2-oxidanylidene-2-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] quinoline-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] quinoline-2-carboxylate Openeye Name: [2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-oxo-2-[3-phenyl-7-(phenylmethylene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] ester IUPAC Name: [2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(7-benzal-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-keto-ethyl] ester Formula: C32H27N3O3 MolecularWeight: 501.57508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)COC(=O)C4=NC5=CC=CC=C5C=C4)C6=CC=CC=C6

Isomeric SMILES

C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)COC(=O)C4=NC5=CC=CC=C5C=C4)C6=CC=CC=C6

InChI

InChI=1S/C32H27N3O3/c36-29(21-38-32(37)28-19-18-23-12-7-8-17-27(23)33-28)35-31(24-13-5-2-6-14-24)26-16-9-15-25(30(26)34-35)20-22-10-3-1-4-11-22/h1-8,10-14,17-20,26,31H,9,15-16,21H2