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

Systemtic Name: (E)-N-butan-2-yl-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-sec-butyl-prop-2-enamide CAS Name: (E)-N-butan-2-yl-3-[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-butan-2-yl-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-3-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-sec-butyl-acrylamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3/c1-3-16(2)23-21(27)13-12-18-15-25(19-9-5-4-6-10-19)24-22(18)17-8-7-11-20(14-17)26(28)29/h4-16H,3H2,1-2H3,(H,23,27)/b13-12+