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

Systemtic Name: (E)-3-[5-bromanyl-2-(3-methylbutoxy)phenyl]-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-isopentyloxy-phenyl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-3-[5-bromo-2-(3-methylbutoxy)phenyl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-3-[5-bromo-2-(3-methylbutoxy)phenyl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-isoamoxy-phenyl)-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C26H27BrN4O3 MolecularWeight: 523.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=C(C=CC(=C3)Br)OCCC(C)C)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=C(C=CC(=C3)Br)OCCC(C)C)/C#N

InChI

InChI=1S/C26H27BrN4O3/c1-17(2)12-13-34-23-11-10-21(27)15-19(23)14-20(16-28)25(32)29-24-18(3)30(4)31(26(24)33)22-8-6-5-7-9-22/h5-11,14-15,17H,12-13H2,1-4H3,(H,29,32)/b20-14+