4-[3-(dimethylazaniumyl)propoxycarbonyl]-2,5-diphenyl-pyrazole-3-carboxylate

Systemtic Name: 4-[3-(dimethylazaniumyl)propoxycarbonyl]-2,5-diphenyl-pyrazole-3-carboxylate Openeye Name: 4-[3-(dimethylammonio)propoxycarbonyl]-2,5-diphenyl-pyrazole-3-carboxylate CAS Name: 4-[3-(dimethylammonio)propoxy-oxomethyl]-2,5-diphenyl-3-pyrazolecarboxylate IUPAC Name: 4-[3-(dimethylazaniumyl)propoxycarbonyl]-2,5-diphenylpyrazole-3-carboxylate Traditional Name: 4-[3-(dimethylammonio)propoxycarbonyl]-2,5-diphenyl-pyrazole-3-carboxylate Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC(=O)C1=C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC(=O)C1=C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H23N3O4/c1-24(2)14-9-15-29-22(28)18-19(16-10-5-3-6-11-16)23-25(20(18)21(26)27)17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3,(H,26,27)