4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-oxidanylidene-butanamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-oxo-butanamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3-diphenyl-4-pyrazolyl)methyl]-4-oxobutanamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-oxobutanamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-keto-butyramide Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O4/c32-24(21-11-13-25-26(17-21)35-16-15-34-25)12-14-27(33)29-18-22-19-31(23-9-5-2-6-10-23)30-28(22)20-7-3-1-4-8-20/h1-11,13,17,19H,12,14-16,18H2,(H,29,33)