2-(12-bromanyldodecyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one

Systemtic Name: 2-(12-bromanyldodecyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one Openeye Name: 2-(12-bromododecyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one CAS Name: 2-(12-bromododecyl)-6-(2-phenyl-3-pyrazolo[1,5-a]pyridinyl)-3-pyridazinone IUPAC Name: 2-(12-bromododecyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one Traditional Name: 2-(12-bromododecyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one Formula: C29H35BrN4O MolecularWeight: 535.5184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=NN(C(=O)C=C4)CCCCCCCCCCCCBr

Isomeric SMILES

C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=NN(C(=O)C=C4)CCCCCCCCCCCCBr

InChI

InChI=1S/C29H35BrN4O/c30-21-13-7-5-3-1-2-4-6-8-14-23-34-27(35)20-19-25(31-34)28-26-18-12-15-22-33(26)32-29(28)24-16-10-9-11-17-24/h9-12,15-20,22H,1-8,13-14,21,23H2