2-[(S)-(2-methoxyphenyl)-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]propanedinitrile

Systemtic Name: 2-[(S)-(2-methoxyphenyl)-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]propanedinitrile Openeye Name: 2-[(S)-(2-methoxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]propanedinitrile CAS Name: 2-[(S)-(2-methoxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]propanedinitrile IUPAC Name: 2-[(S)-(2-methoxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]propanedinitrile Traditional Name: 2-[(S)-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-(2-methoxyphenyl)methyl]malononitrile Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=CC=C3OC)C(C#N)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)[C@H](C3=CC=CC=C3OC)C(C#N)C#N

InChI

InChI=1S/C21H18N4O2/c1-14-19(21(26)25(24-14)16-8-4-3-5-9-16)20(15(12-22)13-23)17-10-6-7-11-18(17)27-2/h3-11,15,20,24H,1-2H3/t20-/m0/s1