2-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzene-1,3-dicarbonitrile hydrochloride

Systemtic Name: 2-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzene-1,3-dicarbonitrile hydrochloride Openeye Name: 2-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzene-1,3-dicarbonitrile hydrochloride CAS Name: 2-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]benzene-1,3-dicarbonitrile hydrochloride IUPAC Name: 2-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzene-1,3-dicarbonitrile hydrochloride Traditional Name: 2-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazino]isophthalonitrile hydrochloride Formula: C25H25ClN6 MolecularWeight: 444.9592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=C(C=CC=C4C#N)C#N.Cl

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=C(C=CC=C4C#N)C#N.Cl

InChI

InChI=1S/C25H24N6.ClH/c26-15-19-7-8-24-23(14-19)22(18-29-24)4-1-2-9-30-10-12-31(13-11-30)25-20(16-27)5-3-6-21(25)17-28;/h3,5-8,14,18,29H,1-2,4,9-13H2;1H