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

Systemtic Name: 6-[[2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromen-3-yl]amino]-2-(cyclopropylmethyl)pyridazin-3-one Openeye Name: 2-(cyclopropylmethyl)-6-[[3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]pyridazin-3-one CAS Name: 2-(cyclopropylmethyl)-6-[[3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-3-yl]amino]-3-pyridazinone IUPAC Name: 2-(cyclopropylmethyl)-6-[[3-hydroxy-2,2-bis(methoxymethyl)-4H-chromen-3-yl]amino]pyridazin-3-one Traditional Name: 2-(cyclopropylmethyl)-6-[[3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]pyridazin-3-one Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(CC2=CC=CC=C2O1)(NC3=NN(C(=O)C=C3)CC4CC4)O)COC

Isomeric SMILES

COCC1(C(CC2=CC=CC=C2O1)(NC3=NN(C(=O)C=C3)CC4CC4)O)COC

InChI

InChI=1S/C21H27N3O5/c1-27-13-20(14-28-2)21(26,11-16-5-3-4-6-17(16)29-20)22-18-9-10-19(25)24(23-18)12-15-7-8-15/h3-6,9-10,15,26H,7-8,11-14H2,1-2H3,(H,22,23)