4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]benzonitrile CAS Name: 4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]benzonitrile IUPAC Name: 4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]benzonitrile Traditional Name: 4-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]benzonitrile Formula: C16H15N5O2 MolecularWeight: 309.3226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)C#N)C3=C(NNC3=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)C#N)C3=C(NNC3=O)C

InChI

InChI=1S/C16H15N5O2/c1-8-12(15(22)20-18-8)14(13-9(2)19-21-16(13)23)11-5-3-10(7-17)4-6-11/h3-6,14H,1-2H3,(H2,18,20,22)(H2,19,21,23)