N-(2-cyanoethyl)-4-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-yl]benzamide

Systemtic Name: N-(2-cyanoethyl)-4-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-yl]benzamide Openeye Name: N-(2-cyanoethyl)-4-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-yl]benzamide CAS Name: N-(2-cyanoethyl)-4-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-yl]benzamide IUPAC Name: N-(2-cyanoethyl)-4-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-yl]benzamide Traditional Name: N-(2-cyanoethyl)-4-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-3-yl]benzamide Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2O1)C3=CC(=NN3)C4=CC=C(C=C4)C(=O)NCCC#N

Isomeric SMILES

C1COC2=C(C=CC=C2O1)C3=CC(=NN3)C4=CC=C(C=C4)C(=O)NCCC#N

InChI

InChI=1S/C21H18N4O3/c22-9-2-10-23-21(26)15-7-5-14(6-8-15)17-13-18(25-24-17)16-3-1-4-19-20(16)28-12-11-27-19/h1,3-8,13H,2,10-12H2,(H,23,26)(H,24,25)