5-(3-cyclopentyloxy-4-methoxy-phenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one dihydrate hydrochloride

Systemtic Name: 5-(3-cyclopentyloxy-4-methoxy-phenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one dihydrate hydrochloride Openeye Name: 5-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-methyl-2-(3-pyridylmethyl)pyrazolidin-3-one dihydrate hydrochloride CAS Name: 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(3-pyridinylmethyl)-3-pyrazolidinone dihydrate hydrochloride IUPAC Name: 5-(3-cyclopentyloxy-4-methoxyphenyl)-1-methyl-2-(pyridin-3-ylmethyl)pyrazolidin-3-one dihydrate hydrochloride Traditional Name: 5-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-methyl-2-(3-pyridylmethyl)pyrazolidin-3-one dihydrate hydrochloride Formula: C22H32ClN3O5 MolecularWeight: 453.95958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC(=O)N1CC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4.O.O.Cl

Isomeric SMILES

CN1C(CC(=O)N1CC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4.O.O.Cl

InChI

InChI=1S/C22H27N3O3.ClH.2H2O/c1-24-19(13-22(26)25(24)15-16-6-5-11-23-14-16)17-9-10-20(27-2)21(12-17)28-18-7-3-4-8-18;;;/h5-6,9-12,14,18-19H,3-4,7-8,13,15H2,1-2H3;1H;2*1H2