(Z)-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-2-pyridin-2-yl-prop-2-enenitrile

Systemtic Name: (Z)-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-2-pyridin-2-yl-prop-2-enenitrile Openeye Name: (Z)-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-2-(2-pyridyl)prop-2-enenitrile CAS Name: (Z)-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-2-(2-pyridinyl)-2-propenenitrile IUPAC Name: (Z)-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile Traditional Name: (Z)-3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-2-(2-pyridyl)acrylonitrile Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C=C(C#N)C4=CC=CC=N4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)/C=C(\C#N)/C4=CC=CC=N4

InChI

InChI=1S/C21H18N4O2/c1-25-14-17(11-16(13-22)18-5-2-3-8-23-18)21(24-25)15-6-7-19-20(12-15)27-10-4-9-26-19/h2-3,5-8,11-12,14H,4,9-10H2,1H3/b16-11+