6-(butylamino)-1-ethyl-2-oxidanyl-4-oxidanylidene-N-pyridazin-3-yl-quinoline-3-carboxamide

Systemtic Name: 6-(butylamino)-1-ethyl-2-oxidanyl-4-oxidanylidene-N-pyridazin-3-yl-quinoline-3-carboxamide Openeye Name: 6-(butylamino)-1-ethyl-2-hydroxy-4-oxo-N-pyridazin-3-yl-quinoline-3-carboxamide CAS Name: 6-(butylamino)-1-ethyl-2-hydroxy-4-oxo-N-(3-pyridazinyl)-3-quinolinecarboxamide IUPAC Name: 6-(butylamino)-1-ethyl-2-hydroxy-4-oxo-N-pyridazin-3-ylquinoline-3-carboxamide Traditional Name: 6-(butylamino)-1-ethyl-2-hydroxy-4-keto-N-pyridazin-3-yl-quinoline-3-carboxamide Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC2=C(C=C1)N(C(=C(C2=O)C(=O)NC3=NN=CC=C3)O)CC

Isomeric SMILES

CCCCNC1=CC2=C(C=C1)N(C(=C(C2=O)C(=O)NC3=NN=CC=C3)O)CC

InChI

InChI=1S/C20H23N5O3/c1-3-5-10-21-13-8-9-15-14(12-13)18(26)17(20(28)25(15)4-2)19(27)23-16-7-6-11-22-24-16/h6-9,11-12,21,28H,3-5,10H2,1-2H3,(H,23,24,27)