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

Systemtic Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl-(phenylmethyl)amino]-4-oxidanylidene-but-2-enoate Openeye Name: 4-[benzyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]amino]-4-oxo-but-2-enoate CAS Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methyl-(phenylmethyl)amino]-4-oxo-2-butenoate IUPAC Name: 4-[benzyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methyl]amino]-4-oxobut-2-enoate Traditional Name: 4-[benzyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyl]amino]-4-keto-but-2-enoate Formula: C29H24N3O5- MolecularWeight: 494.51796

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3CN(CC4=CC=CC=C4)C(=O)C=CC(=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3CN(CC4=CC=CC=C4)C(=O)C=CC(=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C29H25N3O5/c33-27(13-14-28(34)35)31(18-21-7-3-1-4-8-21)19-23-20-32(24-9-5-2-6-10-24)30-29(23)22-11-12-25-26(17-22)37-16-15-36-25/h1-14,17,20H,15-16,18-19H2,(H,34,35)/p-1