2-cyano-N-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]ethanamide

Systemtic Name: 2-cyano-N-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]ethanamide Openeye Name: 2-cyano-N-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]acetamide CAS Name: 2-cyano-N-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methylideneamino]acetamide IUPAC Name: 2-cyano-N-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide Traditional Name: 2-cyano-N-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]acetamide Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3/C=N/NC(=O)CC#N)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O3/c22-9-8-20(27)24-23-13-16-14-26(17-4-2-1-3-5-17)25-21(16)15-6-7-18-19(12-15)29-11-10-28-18/h1-7,12-14H,8,10-11H2,(H,24,27)/b23-13+