N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]isonipecotamide Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C=CC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4O4/c30-24(9-6-18-15-26-29(16-18)21-4-2-1-3-5-21)28-12-10-19(11-13-28)25(31)27-20-7-8-22-23(14-20)33-17-32-22/h1-9,14-16,19H,10-13,17H2,(H,27,31)/b9-6+