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

Systemtic Name: 4-piperazin-1-yl-1-(3-propoxyphenyl)cyclohexane-1-carbonitrile dihydrochloride Openeye Name: 4-piperazin-1-yl-1-(3-propoxyphenyl)cyclohexanecarbonitrile dihydrochloride CAS Name: 4-(1-piperazinyl)-1-(3-propoxyphenyl)-1-cyclohexanecarbonitrile dihydrochloride IUPAC Name: 4-piperazin-1-yl-1-(3-propoxyphenyl)cyclohexane-1-carbonitrile dihydrochloride Traditional Name: 4-piperazino-1-(3-propoxyphenyl)cyclohexanecarbonitrile dihydrochloride Formula: C20H31Cl2N3O MolecularWeight: 400.38564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2(CCC(CC2)N3CCNCC3)C#N.Cl.Cl

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2(CCC(CC2)N3CCNCC3)C#N.Cl.Cl

InChI

InChI=1S/C20H29N3O.2ClH/c1-2-14-24-19-5-3-4-17(15-19)20(16-21)8-6-18(7-9-20)23-12-10-22-11-13-23;;/h3-5,15,18,22H,2,6-14H2,1H3;2*1H