N-[3-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[[(E)-3-(1-methylpyrazol-4-yl)acryloyl]amino]phenyl]-piperonylamide Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N4O4/c1-25-12-14(11-22-25)5-8-20(26)23-16-3-2-4-17(10-16)24-21(27)15-6-7-18-19(9-15)29-13-28-18/h2-12H,13H2,1H3,(H,23,26)(H,24,27)/b8-5+