(2S)-2-[(4-ethylphenyl)amino]-2-(1-methylpyrazol-4-yl)ethanenitrile

Systemtic Name: (2S)-2-[(4-ethylphenyl)amino]-2-(1-methylpyrazol-4-yl)ethanenitrile Openeye Name: (2S)-2-(4-ethylanilino)-2-(1-methylpyrazol-4-yl)acetonitrile CAS Name: (2S)-2-(4-ethylanilino)-2-(1-methyl-4-pyrazolyl)acetonitrile IUPAC Name: (2S)-2-(4-ethylanilino)-2-(1-methylpyrazol-4-yl)acetonitrile Traditional Name: (2S)-2-(4-ethylanilino)-2-(1-methylpyrazol-4-yl)acetonitrile Formula: C14H16N4 MolecularWeight: 240.30364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(C#N)C2=CN(N=C2)C

Isomeric SMILES

CCC1=CC=C(C=C1)N[C@H](C#N)C2=CN(N=C2)C

InChI

InChI=1S/C14H16N4/c1-3-11-4-6-13(7-5-11)17-14(8-15)12-9-16-18(2)10-12/h4-7,9-10,14,17H,3H2,1-2H3/t14-/m1/s1