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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]butanamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]butanamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyramide Formula: C29H27N3O4 MolecularWeight: 481.54238

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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)CC5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)NCC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H27N3O4/c33-25(23-11-13-26-27(17-23)36-16-15-35-26)12-14-28(34)30-18-24-20-32(19-21-7-3-1-4-8-21)31-29(24)22-9-5-2-6-10-22/h1-11,13,17,20H,12,14-16,18-19H2,(H,30,34)