6-bromanyl-3-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]carbonyl-chromen-2-one

Systemtic Name: 6-bromanyl-3-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]carbonyl-chromen-2-one Openeye Name: 6-bromo-3-[4-[6-(2-thienyl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one CAS Name: 6-bromo-3-[oxo-[4-(6-thiophen-2-yl-3-pyridazinyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-2-one Traditional Name: 6-bromo-3-[4-[6-(2-thienyl)pyridazin-3-yl]piperazine-1-carbonyl]coumarin Formula: C22H17BrN4O3S MolecularWeight: 497.36438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC=CS3)C(=O)C4=CC5=C(C=CC(=C5)Br)OC4=O

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC=CS3)C(=O)C4=CC5=C(C=CC(=C5)Br)OC4=O

InChI

InChI=1S/C22H17BrN4O3S/c23-15-3-5-18-14(12-15)13-16(22(29)30-18)21(28)27-9-7-26(8-10-27)20-6-4-17(24-25-20)19-2-1-11-31-19/h1-6,11-13H,7-10H2