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

Systemtic Name: (Z)-2-cyano-N-(3-methoxypropyl)-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (Z)-2-cyano-N-(3-methoxypropyl)-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (Z)-2-cyano-N-(3-methoxypropyl)-3-[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (Z)-2-cyano-N-(3-methoxypropyl)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (Z)-2-cyano-N-(3-methoxypropyl)-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O4/c1-32-12-6-11-25-23(29)18(15-24)13-19-16-27(20-8-3-2-4-9-20)26-22(19)17-7-5-10-21(14-17)28(30)31/h2-5,7-10,13-14,16H,6,11-12H2,1H3,(H,25,29)/b18-13-