6-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonyl-2-(2-phenoxyethyl)pyridazin-3-one

Systemtic Name: 6-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonyl-2-(2-phenoxyethyl)pyridazin-3-one Openeye Name: 6-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one CAS Name: 6-[[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]-2-(2-phenoxyethyl)-3-pyridazinone IUPAC Name: 6-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one Traditional Name: 6-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one Formula: C21H21BrN6O3 MolecularWeight: 485.33384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C21H21BrN6O3/c22-16-14-23-21(24-15-16)27-10-8-26(9-11-27)20(30)18-6-7-19(29)28(25-18)12-13-31-17-4-2-1-3-5-17/h1-7,14-15H,8-13H2