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

Systemtic Name: (2S)-2-(4-dimethylaminophenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)ethanenitrile Openeye Name: (2S)-2-(4-dimethylaminophenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile CAS Name: (2S)-2-(4-dimethylaminophenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile IUPAC Name: (2S)-2-(4-dimethylaminophenyl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile Traditional Name: (2S)-2-(4-dimethylaminophenyl)-2-(3,5,5-trimethyl-2-pyrazolin-1-yl)acetonitrile Formula: C16H22N4 MolecularWeight: 270.37268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4/c1-12-10-16(2,3)20(18-12)15(11-17)13-6-8-14(9-7-13)19(4)5/h6-9,15H,10H2,1-5H3/t15-/m1/s1