5-azanyl-1-(4-methoxyphenyl)-3-piperazin-1-yl-3-pyridin-2-yl-2-pyridin-4-yl-pentane-1,4-dione trihydrochloride

Systemtic Name: 5-azanyl-1-(4-methoxyphenyl)-3-piperazin-1-yl-3-pyridin-2-yl-2-pyridin-4-yl-pentane-1,4-dione trihydrochloride Openeye Name: 5-amino-1-(4-methoxyphenyl)-3-piperazin-1-yl-3-(2-pyridyl)-2-(4-pyridyl)pentane-1,4-dione trihydrochloride CAS Name: 5-amino-1-(4-methoxyphenyl)-3-(1-piperazinyl)-3-(2-pyridinyl)-2-pyridin-4-ylpentane-1,4-dione trihydrochloride IUPAC Name: 5-amino-1-(4-methoxyphenyl)-3-piperazin-1-yl-3-pyridin-2-yl-2-pyridin-4-ylpentane-1,4-dione trihydrochloride Traditional Name: 5-amino-1-(4-methoxyphenyl)-3-piperazino-3-(2-pyridyl)-2-(4-pyridyl)pentane-1,4-dione trihydrochloride Formula: C26H32Cl3N5O3 MolecularWeight: 568.92298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(C2=CC=NC=C2)C(C3=CC=CC=N3)(C(=O)CN)N4CCNCC4.Cl.Cl.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(C2=CC=NC=C2)C(C3=CC=CC=N3)(C(=O)CN)N4CCNCC4.Cl.Cl.Cl

InChI

InChI=1S/C26H29N5O3.3ClH/c1-34-21-7-5-20(6-8-21)25(33)24(19-9-12-28-13-10-19)26(23(32)18-27,22-4-2-3-11-30-22)31-16-14-29-15-17-31;;;/h2-13,24,29H,14-18,27H2,1H3;3*1H