3-[[4-[2-[methyl-(4-propan-2-yloxyphenyl)amino]ethyl]-4-oxidanyl-piperidin-1-yl]methyl]benzenecarbonitrile dihydrochloride

Systemtic Name: 3-[[4-[2-[methyl-(4-propan-2-yloxyphenyl)amino]ethyl]-4-oxidanyl-piperidin-1-yl]methyl]benzenecarbonitrile dihydrochloride Openeye Name: 3-[[4-hydroxy-4-[2-(4-isopropoxy-N-methyl-anilino)ethyl]-1-piperidyl]methyl]benzonitrile dihydrochloride CAS Name: 3-[[4-hydroxy-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]-1-piperidinyl]methyl]benzonitrile dihydrochloride IUPAC Name: 3-[[4-hydroxy-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-1-yl]methyl]benzonitrile dihydrochloride Traditional Name: 3-[[4-hydroxy-4-[2-(4-isopropoxy-N-methyl-anilino)ethyl]piperidino]methyl]benzonitrile dihydrochloride Formula: C25H35Cl2N3O2 MolecularWeight: 480.4703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)N(C)CCC2(CCN(CC2)CC3=CC=CC(=C3)C#N)O.Cl.Cl

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)N(C)CCC2(CCN(CC2)CC3=CC=CC(=C3)C#N)O.Cl.Cl

InChI

InChI=1S/C25H33N3O2.2ClH/c1-20(2)30-24-9-7-23(8-10-24)27(3)14-11-25(29)12-15-28(16-13-25)19-22-6-4-5-21(17-22)18-26;;/h4-10,17,20,29H,11-16,19H2,1-3H3;2*1H