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

Systemtic Name: (2S)-2-(1H-indol-3-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)ethanenitrile Openeye Name: (2S)-2-(1H-indol-3-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile CAS Name: (2S)-2-(1H-indol-3-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile IUPAC Name: (2S)-2-(1H-indol-3-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile Traditional Name: (2S)-2-(1H-indol-3-yl)-2-(3,5,5-trimethyl-2-pyrazolin-1-yl)acetonitrile Formula: C16H18N4 MolecularWeight: 266.34092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)C)C(C#N)C2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=NN(C(C1)(C)C)[C@H](C#N)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C16H18N4/c1-11-8-16(2,3)20(19-11)15(9-17)13-10-18-14-7-5-4-6-12(13)14/h4-7,10,15,18H,8H2,1-3H3/t15-/m1/s1