(E)-3-azanyl-2-[2-(2,4-dimethylphenyl)-4,4-dimethyl-5-oxidanylidene-pyrazolidin-3-yl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(2,4-dimethylphenyl)-4,4-dimethyl-5-oxidanylidene-pyrazolidin-3-yl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(2,4-dimethylphenyl)-4,4-dimethyl-5-oxo-pyrazolidin-3-yl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-(2,4-dimethylphenyl)-4,4-dimethyl-5-oxo-3-pyrazolidinyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(2,4-dimethylphenyl)-4,4-dimethyl-5-oxopyrazolidin-3-yl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(2,4-dimethylphenyl)-5-keto-4,4-dimethyl-pyrazolidin-3-yl]but-2-enenitrile Formula: C17H22N4O MolecularWeight: 298.38278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(C(C(=O)N2)(C)C)C(=C(C)N)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(C(C(=O)N2)(C)C)/C(=C(/C)\N)/C#N)C

InChI

InChI=1S/C17H22N4O/c1-10-6-7-14(11(2)8-10)21-15(13(9-18)12(3)19)17(4,5)16(22)20-21/h6-8,15H,19H2,1-5H3,(H,20,22)/b13-12-