(E)-2-azanyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methylideneamino]but-2-enedinitrile

Systemtic Name: (E)-2-azanyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methylideneamino]but-2-enedinitrile Openeye Name: (E)-2-amino-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]but-2-enedinitrile CAS Name: (E)-2-amino-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methylideneamino]-2-butenedinitrile IUPAC Name: (E)-2-amino-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]but-2-enedinitrile Traditional Name: (E)-2-amino-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyleneamino]but-2-enedinitrile Formula: C16H14N6O MolecularWeight: 306.32196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NC(=C(C#N)N)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=N/C(=C(\C#N)/N)/C#N

InChI

InChI=1S/C16H14N6O/c1-11-13(10-20-15(9-18)14(19)8-17)16(23)22(21(11)2)12-6-4-3-5-7-12/h3-7,10H,19H2,1-2H3/b15-14+,20-10?