(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(piperazine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[oxo(1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(piperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(piperazine-1-carbonyl)acrylonitrile Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C(=CC2=CC3=C(C=C2)OCCO3)C#N

Isomeric SMILES

C1CN(CCN1)C(=O)/C(=C/C2=CC3=C(C=C2)OCCO3)/C#N

InChI

InChI=1S/C16H17N3O3/c17-11-13(16(20)19-5-3-18-4-6-19)9-12-1-2-14-15(10-12)22-8-7-21-14/h1-2,9-10,18H,3-8H2/b13-9+