2-[4-[2-(1H-indol-3-yl)ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile hydrochloride

Systemtic Name: 2-[4-[2-(1H-indol-3-yl)ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile hydrochloride Openeye Name: 2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(3-pyridyl)acetonitrile hydrochloride CAS Name: 2-[4-[2-(1H-indol-3-yl)-1-oxoethyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile hydrochloride IUPAC Name: 2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile hydrochloride Traditional Name: 2-[4-[2-(1H-indol-3-yl)acetyl]piperazino]-2-(3-pyridyl)acetonitrile hydrochloride Formula: C21H22ClN5O MolecularWeight: 395.88528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CC3=CNC4=CC=CC=C43.Cl

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CC3=CNC4=CC=CC=C43.Cl

InChI

InChI=1S/C21H21N5O.ClH/c22-13-20(16-4-3-7-23-14-16)25-8-10-26(11-9-25)21(27)12-17-15-24-19-6-2-1-5-18(17)19;/h1-7,14-15,20,24H,8-12H2;1H