(E)-2-(2-methylfuran-3-yl)carbonyl-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(2-methylfuran-3-yl)carbonyl-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile CAS Name: (E)-2-[(2-methyl-3-furanyl)-oxomethyl]-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-(2-methyl-3-furoyl)acrylonitrile Formula: C24H18N4O2 MolecularWeight: 394.42532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)C(=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C=CO1)C(=O)/C(=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)/C#N

InChI

InChI=1S/C24H18N4O2/c1-17-22(9-11-30-17)24(29)20(13-25)12-21-16-28(15-18-6-3-2-4-7-18)27-23(21)19-8-5-10-26-14-19/h2-12,14,16H,15H2,1H3/b20-12+