2-(1,3-benzodioxol-5-yl)-3-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(3-indan-5-yl-1-phenyl-pyrazol-4-yl)prop-2-enenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(3-indan-5-yl-1-phenyl-pyrazol-4-yl)acrylonitrile Formula: C28H21N3O2 MolecularWeight: 431.48524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C3=NN(C=C3C=C(C#N)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C3=NN(C=C3C=C(C#N)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C28H21N3O2/c29-16-23(21-11-12-26-27(15-21)33-18-32-26)14-24-17-31(25-7-2-1-3-8-25)30-28(24)22-10-9-19-5-4-6-20(19)13-22/h1-3,7-15,17H,4-6,18H2