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

Systemtic Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-[3-(1-imidazolyl)propyl]-3-[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-imidazol-1-ylpropyl)-3-[3-(3-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(=CC=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(=CC=C3)[N+](=O)[O-])/C=C(\C#N)/C(=O)NCCCN4C=CN=C4

InChI

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