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

Systemtic Name: [2-oxidanylidene-2-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] pyridine-4-carboxylate Openeye Name: [2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic 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] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(7-benzal-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-keto-ethyl] ester Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)COC(=O)C4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)COC(=O)C4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O3/c32-25(19-34-28(33)22-14-16-29-17-15-22)31-27(21-10-5-2-6-11-21)24-13-7-12-23(26(24)30-31)18-20-8-3-1-4-9-20/h1-6,8-11,14-18,24,27H,7,12-13,19H2