3-[3-[4-(phenylmethyl)piperazin-1-yl]propanoyl]benzenecarbonitrile dihydrochloride

Systemtic Name: 3-[3-[4-(phenylmethyl)piperazin-1-yl]propanoyl]benzenecarbonitrile dihydrochloride Openeye Name: 3-[3-(4-benzylpiperazin-1-yl)propanoyl]benzonitrile dihydrochloride CAS Name: 3-[1-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]benzonitrile dihydrochloride IUPAC Name: 3-[3-(4-benzylpiperazin-1-yl)propanoyl]benzonitrile dihydrochloride Traditional Name: 3-[3-(4-benzylpiperazino)propanoyl]benzonitrile dihydrochloride Formula: C21H25Cl2N3O MolecularWeight: 406.3487

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC=CC(=C2)C#N)CC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC=CC(=C2)C#N)CC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C21H23N3O.2ClH/c22-16-19-7-4-8-20(15-19)21(25)9-10-23-11-13-24(14-12-23)17-18-5-2-1-3-6-18;;/h1-8,15H,9-14,17H2;2*1H