(E)-2-cyano-N-cyclohexyl-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-cyclohexyl-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-N-cyclohexyl-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]prop-2-enamide CAS Name: (E)-2-cyano-N-cyclohexyl-3-[4-methoxy-3-[(4-nitro-1-pyrazolyl)methyl]phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-cyclohexyl-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-N-cyclohexyl-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]acrylamide Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2CCCCC2)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2CCCCC2)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-30-20-8-7-15(10-17(20)13-25-14-19(12-23-25)26(28)29)9-16(11-22)21(27)24-18-5-3-2-4-6-18/h7-10,12,14,18H,2-6,13H2,1H3,(H,24,27)/b16-9+