(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-2-(4-methoxyphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-2-(4-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-2-(4-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-2-[(4-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-2-(4-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-2-p-anisoyl-acrylonitrile Formula: C19H20ClN3O2 MolecularWeight: 357.834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=C(C#N)C(=O)C2=CC=C(C=C2)OC)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C(\C#N)/C(=O)C2=CC=C(C=C2)OC)Cl

InChI

InChI=1S/C19H20ClN3O2/c1-4-5-10-23-19(20)17(13(2)22-23)11-15(12-21)18(24)14-6-8-16(25-3)9-7-14/h6-9,11H,4-5,10H2,1-3H3/b15-11+