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

Systemtic Name: [2-oxidanylidene-2-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 3-phenylpropanoate Openeye Name: [2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic 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] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-(7-benzal-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-keto-ethyl] ester Formula: C31H30N2O3 MolecularWeight: 478.5815

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)COC(=O)CCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)COC(=O)CCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H30N2O3/c34-28(22-36-29(35)20-19-23-11-4-1-5-12-23)33-31(25-15-8-3-9-16-25)27-18-10-17-26(30(27)32-33)21-24-13-6-2-7-14-24/h1-9,11-16,21,27,31H,10,17-20,22H2