1-(3-phenylmethoxyphenyl)-4-piperazin-1-yl-cyclohexane-1-carbonitrile dihydrochloride

Systemtic Name: 1-(3-phenylmethoxyphenyl)-4-piperazin-1-yl-cyclohexane-1-carbonitrile dihydrochloride Openeye Name: 1-(3-benzyloxyphenyl)-4-piperazin-1-yl-cyclohexanecarbonitrile dihydrochloride CAS Name: 1-(3-phenylmethoxyphenyl)-4-(1-piperazinyl)-1-cyclohexanecarbonitrile dihydrochloride IUPAC Name: 1-(3-phenylmethoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile dihydrochloride Traditional Name: 1-(3-benzoxyphenyl)-4-piperazino-cyclohexanecarbonitrile dihydrochloride Formula: C24H31Cl2N3O MolecularWeight: 448.42844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCNCC2)(C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CC(CCC1N2CCNCC2)(C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C24H29N3O.2ClH/c25-19-24(11-9-22(10-12-24)27-15-13-26-14-16-27)21-7-4-8-23(17-21)28-18-20-5-2-1-3-6-20;;/h1-8,17,22,26H,9-16,18H2;2*1H