5-(7-ethyl-2-methyl-4-quinolin-6-yl-pyrrolo[1,2-b]pyridazin-3-yl)pentanoic acid

Systemtic Name: 5-(7-ethyl-2-methyl-4-quinolin-6-yl-pyrrolo[1,2-b]pyridazin-3-yl)pentanoic acid Openeye Name: 5-[7-ethyl-2-methyl-4-(6-quinolyl)pyrrolo[1,2-b]pyridazin-3-yl]pentanoic acid CAS Name: 5-[7-ethyl-2-methyl-4-(6-quinolinyl)-3-pyrrolo[1,2-b]pyridazinyl]pentanoic acid IUPAC Name: 5-(7-ethyl-2-methyl-4-quinolin-6-ylpyrrolo[1,2-b]pyridazin-3-yl)pentanoic acid Traditional Name: 5-[7-ethyl-2-methyl-4-(6-quinolyl)pyrrolo[1,2-b]pyridazin-3-yl]valeric acid Formula: C24H25N3O2 MolecularWeight: 387.4742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C2N1N=C(C(=C2C3=CC4=C(C=C3)N=CC=C4)CCCCC(=O)O)C

Isomeric SMILES

CCC1=CC=C2N1N=C(C(=C2C3=CC4=C(C=C3)N=CC=C4)CCCCC(=O)O)C

InChI

InChI=1S/C24H25N3O2/c1-3-19-11-13-22-24(18-10-12-21-17(15-18)7-6-14-25-21)20(16(2)26-27(19)22)8-4-5-9-23(28)29/h6-7,10-15H,3-5,8-9H2,1-2H3,(H,28,29)