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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-ethanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3-diphenyl-4-pyrazolyl)methyl]-N-methylacetamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-acetamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H25N3O3/c1-29(26(31)17-20-12-13-24-25(16-20)33-15-14-32-24)18-22-19-30(23-10-6-3-7-11-23)28-27(22)21-8-4-2-5-9-21/h2-13,16,19H,14-15,17-18H2,1H3