2-[4-[2-(naphthalen-1-ylamino)ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile hydrochloride

Systemtic Name: 2-[4-[2-(naphthalen-1-ylamino)ethanoyl]piperazin-1-yl]-2-pyridin-3-yl-ethanenitrile hydrochloride Openeye Name: 2-[4-[2-(1-naphthylamino)acetyl]piperazin-1-yl]-2-(3-pyridyl)acetonitrile hydrochloride CAS Name: 2-[4-[2-(1-naphthalenylamino)-1-oxoethyl]-1-piperazinyl]-2-(3-pyridinyl)acetonitrile hydrochloride IUPAC Name: 2-[4-[2-(naphthalen-1-ylamino)acetyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile hydrochloride Traditional Name: 2-[4-[2-(1-naphthylamino)acetyl]piperazino]-2-(3-pyridyl)acetonitrile hydrochloride Formula: C23H24ClN5O MolecularWeight: 421.92256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CNC3=CC=CC4=CC=CC=C43.Cl

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CN=CC=C2)C(=O)CNC3=CC=CC4=CC=CC=C43.Cl

InChI

InChI=1S/C23H23N5O.ClH/c24-15-22(19-7-4-10-25-16-19)27-11-13-28(14-12-27)23(29)17-26-21-9-3-6-18-5-1-2-8-20(18)21;/h1-10,16,22,26H,11-14,17H2;1H