4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[[2-(3,5-dimethylpyrazol-1-yl)-8-quinolyl]amino]-5-nitro-phthalonitrile CAS Name: 4-[[2-(3,5-dimethyl-1-pyrazolyl)-8-quinolinyl]amino]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[[2-(3,5-dimethylpyrazol-1-yl)-8-quinolyl]amino]-5-nitro-phthalonitrile Formula: C22H15N7O2 MolecularWeight: 409.4002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(C=CC=C3NC4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-])C=C2)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(C=CC=C3NC4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-])C=C2)C

InChI

InChI=1S/C22H15N7O2/c1-13-8-14(2)28(27-13)21-7-6-15-4-3-5-18(22(15)26-21)25-19-9-16(11-23)17(12-24)10-20(19)29(30)31/h3-10,25H,1-2H3