2-[[4-(3-cyano-5-isocyano-phenoxy)-5-methyl-1H-pyrazol-3-yl]methyl]-3-oxidanylidene-1H-isoindole-5-carbonitrile

Systemtic Name: 2-[[4-(3-cyano-5-isocyano-phenoxy)-5-methyl-1H-pyrazol-3-yl]methyl]-3-oxidanylidene-1H-isoindole-5-carbonitrile Openeye Name: 2-[[4-(3-cyano-5-isocyano-phenoxy)-5-methyl-1H-pyrazol-3-yl]methyl]-3-oxo-isoindoline-5-carbonitrile CAS Name: 2-[[4-(3-cyano-5-isocyanophenoxy)-5-methyl-1H-pyrazol-3-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile IUPAC Name: 2-[[4-(3-cyano-5-isocyanophenoxy)-5-methyl-1H-pyrazol-3-yl]methyl]-3-oxo-1H-isoindole-5-carbonitrile Traditional Name: 2-[[4-(3-cyano-5-isocyano-phenoxy)-5-methyl-1H-pyrazol-3-yl]methyl]-3-keto-isoindoline-5-carbonitrile Formula: C22H14N6O2 MolecularWeight: 394.38556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)CN2CC3=C(C2=O)C=C(C=C3)C#N)OC4=CC(=CC(=C4)[N+]#[C-])C#N

Isomeric SMILES

CC1=C(C(=NN1)CN2CC3=C(C2=O)C=C(C=C3)C#N)OC4=CC(=CC(=C4)[N+]#[C-])C#N

InChI

InChI=1S/C22H14N6O2/c1-13-21(30-18-6-15(10-24)5-17(8-18)25-2)20(27-26-13)12-28-11-16-4-3-14(9-23)7-19(16)22(28)29/h3-8H,11-12H2,1H3,(H,26,27)