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

Systemtic Name: (E)-2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-propan-2-yl-prop-2-enamide Openeye Name: (E)-2-cyano-N-isopropyl-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-N-propan-2-yl-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-propan-2-ylprop-2-enamide Traditional Name: (E)-2-cyano-N-isopropyl-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)NC(=O)/C(=C/C1=CN(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H19N5O3/c1-15(2)24-22(28)17(13-23)12-18-14-26(19-6-4-3-5-7-19)25-21(18)16-8-10-20(11-9-16)27(29)30/h3-12,14-15H,1-2H3,(H,24,28)/b17-12+