6-[[2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromen-3-yl]amino]-2-(4-chloranylbut-2-ynyl)pyridazin-3-one

Systemtic Name: 6-[[2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromen-3-yl]amino]-2-(4-chloranylbut-2-ynyl)pyridazin-3-one Openeye Name: 2-(4-chlorobut-2-ynyl)-6-[[3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]pyridazin-3-one CAS Name: 2-(4-chlorobut-2-ynyl)-6-[[3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-3-yl]amino]-3-pyridazinone IUPAC Name: 2-(4-chlorobut-2-ynyl)-6-[[3-hydroxy-2,2-bis(methoxymethyl)-4H-chromen-3-yl]amino]pyridazin-3-one Traditional Name: 2-(4-chlorobut-2-ynyl)-6-[[3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]pyridazin-3-one Formula: C21H24ClN3O5 MolecularWeight: 433.88536

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(CC2=CC=CC=C2O1)(NC3=NN(C(=O)C=C3)CC#CCCl)O)COC

Isomeric SMILES

COCC1(C(CC2=CC=CC=C2O1)(NC3=NN(C(=O)C=C3)CC#CCCl)O)COC

InChI

InChI=1S/C21H24ClN3O5/c1-28-14-20(15-29-2)21(27,13-16-7-3-4-8-17(16)30-20)23-18-9-10-19(26)25(24-18)12-6-5-11-22/h3-4,7-10,27H,11-15H2,1-2H3,(H,23,24)