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

Systemtic Name: [2-oxidanylidene-2-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] pyridine-3-carboxylate Openeye Name: [2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-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-3-carboxylate Traditional Name: nicotinic 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=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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