4-[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 4-[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]benzonitrile CAS Name: 4-[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enoyl]benzonitrile Traditional Name: 4-[3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]acryloyl]benzonitrile Formula: C27H19N3O3 MolecularWeight: 433.45806

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=CC(=O)C4=CC=C(C=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=CC(=O)C4=CC=C(C=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C27H19N3O3/c28-17-19-6-8-20(9-7-19)24(31)12-10-22-18-30(23-4-2-1-3-5-23)29-27(22)21-11-13-25-26(16-21)33-15-14-32-25/h1-13,16,18H,14-15H2