(E)-2-cyano-N-(3-methoxypropyl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3-methoxypropyl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-N-(3-methoxypropyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(3-methoxypropyl)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-N-(3-methoxypropyl)prop-2-enamide Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-2-cyano-N-(3-methoxypropyl)acrylamide Formula: C18H20N4O2 MolecularWeight: 324.377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C(=CC1=CN(N=C1)CC2=CC=CC=C2)C#N

Isomeric SMILES

COCCCNC(=O)/C(=C/C1=CN(N=C1)CC2=CC=CC=C2)/C#N

InChI

InChI=1S/C18H20N4O2/c1-24-9-5-8-20-18(23)17(11-19)10-16-12-21-22(14-16)13-15-6-3-2-4-7-15/h2-4,6-7,10,12,14H,5,8-9,13H2,1H3,(H,20,23)/b17-10+