[2-methyl-2-piperazin-1-yl-3-(2-propan-2-yloxyphenyl)piperidin-1-yl]-phenyl-methanone hydrochloride

Systemtic Name: [2-methyl-2-piperazin-1-yl-3-(2-propan-2-yloxyphenyl)piperidin-1-yl]-phenyl-methanone hydrochloride Openeye Name: [3-(2-isopropoxyphenyl)-2-methyl-2-piperazin-1-yl-1-piperidyl]-phenyl-methanone hydrochloride CAS Name: [2-methyl-2-(1-piperazinyl)-3-(2-propan-2-yloxyphenyl)-1-piperidinyl]-phenylmethanone hydrochloride IUPAC Name: [2-methyl-2-piperazin-1-yl-3-(2-propan-2-yloxyphenyl)piperidin-1-yl]-phenylmethanone hydrochloride Traditional Name: [3-(2-isopropoxyphenyl)-2-methyl-2-piperazino-piperidino]-phenyl-methanone hydrochloride Formula: C26H36ClN3O2 MolecularWeight: 458.03594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C2CCCN(C2(C)N3CCNCC3)C(=O)C4=CC=CC=C4.Cl

Isomeric SMILES

CC(C)OC1=CC=CC=C1C2CCCN(C2(C)N3CCNCC3)C(=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C26H35N3O2.ClH/c1-20(2)31-24-14-8-7-12-22(24)23-13-9-17-29(25(30)21-10-5-4-6-11-21)26(23,3)28-18-15-27-16-19-28;/h4-8,10-12,14,20,23,27H,9,13,15-19H2,1-3H3;1H