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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C=CC3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)/C=C/C3=CN(N=C3)CC4=CC=CC=C4

InChI

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