(E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-[3-(1-imidazolyl)propyl]-3-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C25H21N7O3 MolecularWeight: 467.47934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C=C(C#N)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])/C=C(\C#N)/C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C25H21N7O3/c26-16-20(25(33)28-11-4-13-30-14-12-27-18-30)15-21-17-31(22-5-2-1-3-6-22)29-24(21)19-7-9-23(10-8-19)32(34)35/h1-3,5-10,12,14-15,17-18H,4,11,13H2,(H,28,33)/b20-15+