N-butyl-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: N-butyl-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: N-butyl-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: N-butyl-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: N-butyl-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: N-butyl-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCNC(=O)C(=CC1=CN(N=C1C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H24N4O3/c1-2-3-11-27-25(30)19(16-26)14-20-17-29(21-7-5-4-6-8-21)28-24(20)18-9-10-22-23(15-18)32-13-12-31-22/h4-10,14-15,17H,2-3,11-13H2,1H3,(H,27,30)