(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acrylamide Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H19N3O3/c25-21(9-5-17-4-8-19-20(14-17)27-15-26-19)22-12-10-16-2-6-18(7-3-16)24-13-1-11-23-24/h1-9,11,13-14H,10,12,15H2,(H,22,25)/b9-5+