2-oxidanyl-6-propan-2-yl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one hydrochloride

Systemtic Name: 2-oxidanyl-6-propan-2-yl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one hydrochloride Openeye Name: 2-hydroxy-6-isopropyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one hydrochloride CAS Name: 2-hydroxy-6-propan-2-yl-3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-cyclohepta-2,4,6-trienone hydrochloride IUPAC Name: 2-hydroxy-6-propan-2-yl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohepta-2,4,6-trien-1-one hydrochloride Traditional Name: 2-hydroxy-6-isopropyl-3-[[4-(2-pyrimidyl)piperazino]methyl]cyclohepta-2,4,6-trien-1-one hydrochloride Formula: C19H25ClN4O2 MolecularWeight: 376.8804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)C(=C(C=C1)CN2CCN(CC2)C3=NC=CC=N3)O.Cl

Isomeric SMILES

CC(C)C1=CC(=O)C(=C(C=C1)CN2CCN(CC2)C3=NC=CC=N3)O.Cl

InChI

InChI=1S/C19H24N4O2.ClH/c1-14(2)15-4-5-16(18(25)17(24)12-15)13-22-8-10-23(11-9-22)19-20-6-3-7-21-19;/h3-7,12,14H,8-11,13H2,1-2H3,(H,24,25);1H