4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxo-butanoate CAS Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methyl-methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl-methylamino]-4-oxobutanoate Traditional Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-keto-butyrate Formula: C23H22N3O5- MolecularWeight: 420.43788

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)C(=O)CCC(=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C23H23N3O5/c1-25(21(27)9-10-22(28)29)14-17-15-26(18-5-3-2-4-6-18)24-23(17)16-7-8-19-20(13-16)31-12-11-30-19/h2-8,13,15H,9-12,14H2,1H3,(H,28,29)/p-1