4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxo-butanoate CAS Name: 4-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl-methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]butyrate Formula: C22H22N3O4- MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3)C(=O)CCC(=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3)C(=O)CCC(=O)[O-]

InChI

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