3-(1,3-benzodioxol-5-yl)-2-(4-ethanoylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-(4-ethanoylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: 2-(4-acetylpiperazine-1-carbonyl)-3-(1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: 2-[(4-acetyl-1-piperazinyl)-oxomethyl]-3-(1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: 2-(4-acetylpiperazine-1-carbonyl)-3-(1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: 2-(4-acetylpiperazine-1-carbonyl)-3-(1,3-benzodioxol-5-yl)acrylonitrile Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=CC2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C17H17N3O4/c1-12(21)19-4-6-20(7-5-19)17(22)14(10-18)8-13-2-3-15-16(9-13)24-11-23-15/h2-3,8-9H,4-7,11H2,1H3