1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-pyrazole-4-carboxamide

Systemtic Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-pyrazole-4-carboxamide Openeye Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-pyrazole-4-carboxamide CAS Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-4-pyrazolecarboxamide IUPAC Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylpyrazole-4-carboxamide Traditional Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-pyrazole-4-carboxamide Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C(=O)NC4=CC=CC=C4)CCC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C(=O)NC4=CC=CC=C4)CCC#N

InChI

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