2-(3-azanylpyridin-4-yl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanenitrile

Systemtic Name: 2-(3-azanylpyridin-4-yl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanenitrile Openeye Name: 2-(3-amino-4-pyridyl)-2-(4-benzylpiperazin-1-yl)acetonitrile CAS Name: 2-(3-amino-4-pyridinyl)-2-[4-(phenylmethyl)-1-piperazinyl]acetonitrile IUPAC Name: 2-(3-aminopyridin-4-yl)-2-(4-benzylpiperazin-1-yl)acetonitrile Traditional Name: 2-(3-amino-4-pyridyl)-2-(4-benzylpiperazino)acetonitrile Formula: C18H21N5 MolecularWeight: 307.39284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(C#N)C3=C(C=NC=C3)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(C#N)C3=C(C=NC=C3)N

InChI

InChI=1S/C18H21N5/c19-12-18(16-6-7-21-13-17(16)20)23-10-8-22(9-11-23)14-15-4-2-1-3-5-15/h1-7,13,18H,8-11,14,20H2