(E)-3-[3-(3-bromanyl-4-methoxy-phenyl)-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-(3-bromanyl-4-methoxy-phenyl)-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-(3-bromo-4-methoxy-phenyl)-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-(3-bromo-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-3-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-3-[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C31H25BrN6O3 MolecularWeight: 609.4726

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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)OC)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)OC)Br)C5=CC=CC=C5)/C#N

InChI

InChI=1S/C31H25BrN6O3/c1-20-28(31(40)38(36(20)2)25-12-8-5-9-13-25)34-30(39)22(18-33)16-23-19-37(24-10-6-4-7-11-24)35-29(23)21-14-15-27(41-3)26(32)17-21/h4-17,19H,1-3H3,(H,34,39)/b22-16+