(E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide

Systemtic Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-pyridylmethyl)prop-2-enamide CAS Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-pyridylmethyl)acrylamide Formula: C25H18BrN5O MolecularWeight: 484.34732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C=C(C#N)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)/C=C(\C#N)/C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C25H18BrN5O/c26-22-10-8-19(9-11-22)24-21(17-31(30-24)23-6-2-1-3-7-23)13-20(14-27)25(32)29-16-18-5-4-12-28-15-18/h1-13,15,17H,16H2,(H,29,32)/b20-13+