4-[2-oxidanyl-4-(4-phenylpiperazin-1-yl)butoxy]benzenecarbonitrile dihydrochloride

Systemtic Name: 4-[2-oxidanyl-4-(4-phenylpiperazin-1-yl)butoxy]benzenecarbonitrile dihydrochloride Openeye Name: 4-[2-hydroxy-4-(4-phenylpiperazin-1-yl)butoxy]benzonitrile dihydrochloride CAS Name: 4-[2-hydroxy-4-(4-phenyl-1-piperazinyl)butoxy]benzonitrile dihydrochloride IUPAC Name: 4-[2-hydroxy-4-(4-phenylpiperazin-1-yl)butoxy]benzonitrile dihydrochloride Traditional Name: 4-[2-hydroxy-4-(4-phenylpiperazino)butoxy]benzonitrile dihydrochloride Formula: C21H27Cl2N3O2 MolecularWeight: 424.36398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(COC2=CC=C(C=C2)C#N)O)C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC(COC2=CC=C(C=C2)C#N)O)C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C21H25N3O2.2ClH/c22-16-18-6-8-21(9-7-18)26-17-20(25)10-11-23-12-14-24(15-13-23)19-4-2-1-3-5-19;;/h1-9,20,25H,10-15,17H2;2*1H