4-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxo-butanoate CAS Name: 4-[[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]methyl-methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl-methylamino]-4-oxobutanoate Traditional Name: 4-[[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-keto-butyrate Formula: C23H20N3O4- MolecularWeight: 402.4226

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4)C(=O)CCC(=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C23H21N3O4/c1-25(21(27)11-12-22(28)29)14-17-15-26(18-8-3-2-4-9-18)24-23(17)20-13-16-7-5-6-10-19(16)30-20/h2-10,13,15H,11-12,14H2,1H3,(H,28,29)/p-1