3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-(2-hydroxyethyl)prop-2-enamide

Systemtic Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-(2-hydroxyethyl)prop-2-enamide Openeye Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-(2-hydroxyethyl)prop-2-enamide CAS Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-N-(2-hydroxyethyl)-2-propenamide IUPAC Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)prop-2-enamide Traditional Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-N-(2-hydroxyethyl)acrylamide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=CC(=O)NCCO)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=CC(=O)NCCO)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4/c26-11-10-23-21(27)9-7-17-15-25(18-4-2-1-3-5-18)24-22(17)16-6-8-19-20(14-16)29-13-12-28-19/h1-9,14-15,26H,10-13H2,(H,23,27)