ethyl 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-1-(p-tolyl)pyridazine-3-carboxylate CAS Name: 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-keto-1-(p-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1N2CCC3(CC2)OCCO3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1N2CCC3(CC2)OCCO3)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H25N3O5/c1-3-27-20(26)19-17(23-10-8-21(9-11-23)28-12-13-29-21)14-18(25)24(22-19)16-6-4-15(2)5-7-16/h4-7,14H,3,8-13H2,1-2H3