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

Systemtic Name: 4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzene-1,2-dicarbonitrile hydrochloride Openeye Name: 4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]phthalonitrile hydrochloride CAS Name: 4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]benzene-1,2-dicarbonitrile hydrochloride IUPAC Name: 4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzene-1,2-dicarbonitrile hydrochloride Traditional Name: 4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazino]phthalonitrile 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=CC(=C(C=C4)C#N)C#N.Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H24N6.ClH/c26-15-19-4-7-25-24(13-19)21(18-29-25)3-1-2-8-30-9-11-31(12-10-30)23-6-5-20(16-27)22(14-23)17-28;/h4-7,13-14,18,29H,1-3,8-12H2;1H