(E)-3-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]-2-pyrrolidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]-2-pyrrolidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-[oxo(1-pyrrolidinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-(pyrrolidine-1-carbonyl)acrylonitrile Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N3CCCC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)N3CCCC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H26N4O3/c1-32-23-11-10-20(15-24(23)33-2)25-22(14-21(16-27)26(31)29-12-6-7-13-29)18-30(28-25)17-19-8-4-3-5-9-19/h3-5,8-11,14-15,18H,6-7,12-13,17H2,1-2H3/b21-14+