2,2-diphenyl-4-[4-(phenylmethyl)piperazin-1-yl]butanenitrile dihydrochloride

Systemtic Name: 2,2-diphenyl-4-[4-(phenylmethyl)piperazin-1-yl]butanenitrile dihydrochloride Openeye Name: 4-(4-benzylpiperazin-1-yl)-2,2-diphenyl-butanenitrile dihydrochloride CAS Name: 2,2-diphenyl-4-[4-(phenylmethyl)-1-piperazinyl]butanenitrile dihydrochloride IUPAC Name: 4-(4-benzylpiperazin-1-yl)-2,2-diphenylbutanenitrile dihydrochloride Traditional Name: 4-(4-benzylpiperazino)-2,2-diphenyl-butyronitrile dihydrochloride Formula: C27H31Cl2N3 MolecularWeight: 468.46114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C27H29N3.2ClH/c28-23-27(25-12-6-2-7-13-25,26-14-8-3-9-15-26)16-17-29-18-20-30(21-19-29)22-24-10-4-1-5-11-24;;/h1-15H,16-22H2;2*1H