5-nitro-2-[(E)-2-[1-(phenylmethyl)-4-pyridin-3-yl-pyrazol-3-yl]ethenyl]quinoline

Systemtic Name: 5-nitro-2-[(E)-2-[1-(phenylmethyl)-4-pyridin-3-yl-pyrazol-3-yl]ethenyl]quinoline Openeye Name: 2-[(E)-2-[1-benzyl-4-(3-pyridyl)pyrazol-3-yl]vinyl]-5-nitro-quinoline CAS Name: 5-nitro-2-[(E)-2-[1-(phenylmethyl)-4-(3-pyridinyl)-3-pyrazolyl]ethenyl]quinoline IUPAC Name: 2-[(E)-2-(1-benzyl-4-pyridin-3-ylpyrazol-3-yl)ethenyl]-5-nitroquinoline Traditional Name: 2-[(E)-2-[1-benzyl-4-(3-pyridyl)pyrazol-3-yl]vinyl]-5-nitro-quinoline Formula: C26H19N5O2 MolecularWeight: 433.46136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C=CC3=NC4=C(C=C3)C(=CC=C4)[N+](=O)[O-])C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)/C=C/C3=NC4=C(C=C3)C(=CC=C4)[N+](=O)[O-])C5=CN=CC=C5

InChI

InChI=1S/C26H19N5O2/c32-31(33)26-10-4-9-24-22(26)13-11-21(28-24)12-14-25-23(20-8-5-15-27-16-20)18-30(29-25)17-19-6-2-1-3-7-19/h1-16,18H,17H2/b14-12+