(E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-(3-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-2-[(3-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]-2-(3-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]-2-m-anisoyl-acrylonitrile Formula: C23H18N4O2 MolecularWeight: 382.41462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CCC#N)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)CCC#N)/C#N

InChI

InChI=1S/C23H18N4O2/c1-29-21-10-5-9-18(14-21)23(28)19(15-25)13-20-16-27(12-6-11-24)26-22(20)17-7-3-2-4-8-17/h2-5,7-10,13-14,16H,6,12H2,1H3/b19-13+