2-(8-bromanyloctyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one

Systemtic Name: 2-(8-bromanyloctyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one Openeye Name: 2-(8-bromooctyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one CAS Name: 2-(8-bromooctyl)-6-[3-(2-pyrazolo[1,5-a]pyridinyl)phenyl]-3-pyridazinone IUPAC Name: 2-(8-bromooctyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one Traditional Name: 2-(8-bromooctyl)-6-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-3-one Formula: C25H27BrN4O MolecularWeight: 479.41208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=NN2C=C1)C3=CC=CC(=C3)C4=NN(C(=O)C=C4)CCCCCCCCBr

Isomeric SMILES

C1=CC2=CC(=NN2C=C1)C3=CC=CC(=C3)C4=NN(C(=O)C=C4)CCCCCCCCBr

InChI

InChI=1S/C25H27BrN4O/c26-15-6-3-1-2-4-7-17-30-25(31)14-13-23(27-30)20-10-9-11-21(18-20)24-19-22-12-5-8-16-29(22)28-24/h5,8-14,16,18-19H,1-4,6-7,15,17H2