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

Systemtic Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C30H23N7O4 MolecularWeight: 545.54812

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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)[N+](=O)[O-])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)[N+](=O)[O-])C5=CC=CC=C5)/C#N

InChI

InChI=1S/C30H23N7O4/c1-20-27(30(39)36(34(20)2)25-11-7-4-8-12-25)32-29(38)22(18-31)17-23-19-35(24-9-5-3-6-10-24)33-28(23)21-13-15-26(16-14-21)37(40)41/h3-17,19H,1-2H3,(H,32,38)/b22-17+