(E)-N-butyl-2-cyano-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-butyl-2-cyano-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-butyl-2-cyano-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-butyl-2-cyano-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-butyl-2-cyano-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-butyl-2-cyano-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acrylamide Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CN(N=C1C2=CN=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C/C1=CN(N=C1C2=CN=CC=C2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H21N5O/c1-2-3-12-25-22(28)18(14-23)13-19-16-27(20-9-5-4-6-10-20)26-21(19)17-8-7-11-24-15-17/h4-11,13,15-16H,2-3,12H2,1H3,(H,25,28)/b18-13+