methyl 1-(1-methoxy-1-oxidanylidene-4,4-diphenyl-but-3-en-2-yl)-5-phenyl-pyrazole-4-carboxylate

Systemtic Name: methyl 1-(1-methoxy-1-oxidanylidene-4,4-diphenyl-but-3-en-2-yl)-5-phenyl-pyrazole-4-carboxylate Openeye Name: methyl 1-(1-methoxycarbonyl-3,3-diphenyl-allyl)-5-phenyl-pyrazole-4-carboxylate CAS Name: 1-(1-methoxy-1-oxo-4,4-diphenylbut-3-en-2-yl)-5-phenyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(1-methoxy-1-oxo-4,4-diphenylbut-3-en-2-yl)-5-phenylpyrazole-4-carboxylate Traditional Name: 1-(1-carbomethoxy-3,3-diphenyl-allyl)-5-phenyl-pyrazole-4-carboxylic acid methyl ester Formula: C28H24N2O4 MolecularWeight: 452.50116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C(C=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C(C=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C28H24N2O4/c1-33-27(31)24-19-29-30(26(24)22-16-10-5-11-17-22)25(28(32)34-2)18-23(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-19,25H,1-2H3