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

Systemtic Name: 6-[[2,2-bis(methoxymethyl)-3-oxidanyl-chromen-4-yl]amino]-2-heptyl-pyridazin-3-one Openeye Name: 2-heptyl-6-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]pyridazin-3-one CAS Name: 2-heptyl-6-[[3-hydroxy-2,2-bis(methoxymethyl)-1-benzopyran-4-yl]amino]-3-pyridazinone IUPAC Name: 2-heptyl-6-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]pyridazin-3-one Traditional Name: 2-heptyl-6-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]pyridazin-3-one Formula: C24H33N3O5 MolecularWeight: 443.53592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C=CC(=N1)NC2=C(C(OC3=CC=CC=C32)(COC)COC)O

Isomeric SMILES

CCCCCCCN1C(=O)C=CC(=N1)NC2=C(C(OC3=CC=CC=C32)(COC)COC)O

InChI

InChI=1S/C24H33N3O5/c1-4-5-6-7-10-15-27-21(28)14-13-20(26-27)25-22-18-11-8-9-12-19(18)32-24(16-30-2,17-31-3)23(22)29/h8-9,11-14,29H,4-7,10,15-17H2,1-3H3,(H,25,26)