2-[(E)-2-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]ethenyl]-8-nitro-quinoline

Systemtic Name: 2-[(E)-2-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]ethenyl]-8-nitro-quinoline Openeye Name: 2-[(E)-2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)vinyl]-8-nitro-quinoline CAS Name: 2-[(E)-2-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]ethenyl]-8-nitroquinoline IUPAC Name: 2-[(E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)ethenyl]-8-nitroquinoline Traditional Name: 2-[(E)-2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)vinyl]-8-nitro-quinoline Formula: C23H20N4O2 MolecularWeight: 384.4305

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=CC3=NC4=C(C=CC=C4[N+](=O)[O-])C=C3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=C/C3=NC4=C(C=CC=C4[N+](=O)[O-])C=C3

InChI

InChI=1S/C23H20N4O2/c1-16-21(17(2)26(25-16)15-18-7-4-3-5-8-18)14-13-20-12-11-19-9-6-10-22(27(28)29)23(19)24-20/h3-14H,15H2,1-2H3/b14-13+