(E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C30H23BrN6O2 MolecularWeight: 579.44662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)Br)C5=CC=CC=C5)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CN(N=C3C4=CC=C(C=C4)Br)C5=CC=CC=C5)/C#N

InChI

InChI=1S/C30H23BrN6O2/c1-20-27(30(39)37(35(20)2)26-11-7-4-8-12-26)33-29(38)22(18-32)17-23-19-36(25-9-5-3-6-10-25)34-28(23)21-13-15-24(31)16-14-21/h3-17,19H,1-2H3,(H,33,38)/b22-17+