tert-butyl 6-cyano-3-methyl-1,5,5-triphenyl-4,6-dihydropyrano[2,3-c]pyrazole-4-carboxylate

Systemtic Name: tert-butyl 6-cyano-3-methyl-1,5,5-triphenyl-4,6-dihydropyrano[2,3-c]pyrazole-4-carboxylate Openeye Name: tert-butyl 6-cyano-3-methyl-1,5,5-triphenyl-4,6-dihydropyrano[2,3-c]pyrazole-4-carboxylate CAS Name: 6-cyano-3-methyl-1,5,5-triphenyl-4,6-dihydropyrano[2,3-c]pyrazole-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-cyano-3-methyl-1,5,5-triphenyl-4,6-dihydropyrano[2,3-c]pyrazole-4-carboxylate Traditional Name: 6-cyano-3-methyl-1,5,5-triphenyl-4,6-dihydropyrano[2,3-c]pyrazole-4-carboxylic acid tert-butyl ester Formula: C31H29N3O3 MolecularWeight: 491.58026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(C(C(O2)C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(C)(C)C)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(C(C(O2)C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(C)(C)C)C5=CC=CC=C5

InChI

InChI=1S/C31H29N3O3/c1-21-26-27(29(35)37-30(2,3)4)31(22-14-8-5-9-15-22,23-16-10-6-11-17-23)25(20-32)36-28(26)34(33-21)24-18-12-7-13-19-24/h5-19,25,27H,1-4H3