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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC=CC(=C3N)CC#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC=CC(=C3N)CC#N

InChI

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