(2S)-2-[4-(2-chloranylethanoyl)piperazin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanenitrile

Systemtic Name: (2S)-2-[4-(2-chloranylethanoyl)piperazin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanenitrile Openeye Name: (2S)-2-[4-(2-chloroacetyl)piperazin-1-yl]-2-(1-phenylpyrazol-4-yl)acetonitrile CAS Name: (2S)-2-[4-(2-chloro-1-oxoethyl)-1-piperazinyl]-2-(1-phenyl-4-pyrazolyl)acetonitrile IUPAC Name: (2S)-2-[4-(2-chloroacetyl)piperazin-1-yl]-2-(1-phenylpyrazol-4-yl)acetonitrile Traditional Name: (2S)-2-[4-(2-chloroacetyl)piperazino]-2-(1-phenylpyrazol-4-yl)acetonitrile Formula: C17H18ClN5O MolecularWeight: 343.81072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN(N=C2)C3=CC=CC=C3)C(=O)CCl

Isomeric SMILES

C1CN(CCN1[C@H](C#N)C2=CN(N=C2)C3=CC=CC=C3)C(=O)CCl

InChI

InChI=1S/C17H18ClN5O/c18-10-17(24)22-8-6-21(7-9-22)16(11-19)14-12-20-23(13-14)15-4-2-1-3-5-15/h1-5,12-13,16H,6-10H2/t16-/m1/s1