(2S)-2-(4-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)ethanenitrile

Systemtic Name: (2S)-2-(4-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)ethanenitrile Openeye Name: (2S)-2-(4-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile CAS Name: (2S)-2-(4-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile IUPAC Name: (2S)-2-(4-methoxyphenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile Traditional Name: (2S)-2-(4-methoxyphenyl)-2-(3,5,5-trimethyl-2-pyrazolin-1-yl)acetonitrile Formula: C15H19N3O MolecularWeight: 257.33086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)C)C(C#N)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=NN(C(C1)(C)C)[C@H](C#N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C15H19N3O/c1-11-9-15(2,3)18(17-11)14(10-16)12-5-7-13(19-4)8-6-12/h5-8,14H,9H2,1-4H3/t14-/m1/s1