2-[(S)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(4-propan-2-ylphenyl)methyl]propanedinitrile

Systemtic Name: 2-[(S)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(4-propan-2-ylphenyl)methyl]propanedinitrile Openeye Name: 2-[(S)-(4-isopropylphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile CAS Name: 2-[(S)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(4-propan-2-ylphenyl)methyl]propanedinitrile IUPAC Name: 2-[(S)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(4-propan-2-ylphenyl)methyl]propanedinitrile Traditional Name: 2-[(S)-(3-keto-5-methyl-3-pyrazolin-4-yl)-p-cumenyl-methyl]malononitrile Formula: C17H18N4O MolecularWeight: 294.35102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=O)NN1)[C@H](C2=CC=C(C=C2)C(C)C)C(C#N)C#N

InChI

InChI=1S/C17H18N4O/c1-10(2)12-4-6-13(7-5-12)16(14(8-18)9-19)15-11(3)20-21-17(15)22/h4-7,10,14,16H,1-3H3,(H2,20,21,22)/t16-/m1/s1