4-piperazin-1-yl-1-(3-propan-2-yloxyphenyl)cyclohexane-1-carbonitrile dihydrochloride

Systemtic Name: 4-piperazin-1-yl-1-(3-propan-2-yloxyphenyl)cyclohexane-1-carbonitrile dihydrochloride Openeye Name: 1-(3-isopropoxyphenyl)-4-piperazin-1-yl-cyclohexanecarbonitrile dihydrochloride CAS Name: 4-(1-piperazinyl)-1-(3-propan-2-yloxyphenyl)-1-cyclohexanecarbonitrile dihydrochloride IUPAC Name: 4-piperazin-1-yl-1-(3-propan-2-yloxyphenyl)cyclohexane-1-carbonitrile dihydrochloride Traditional Name: 1-(3-isopropoxyphenyl)-4-piperazino-cyclohexanecarbonitrile dihydrochloride Formula: C20H31Cl2N3O MolecularWeight: 400.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2(CCC(CC2)N3CCNCC3)C#N.Cl.Cl

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2(CCC(CC2)N3CCNCC3)C#N.Cl.Cl

InChI

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