N-(3,4-dimethoxyphenyl)-6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-6-oxo-1-(2-phenoxyethyl)-3-pyridazinecarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-6-keto-1-(2-phenoxyethyl)pyridazine-3-carboxamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3)OC

InChI

InChI=1S/C21H21N3O5/c1-27-18-10-8-15(14-19(18)28-2)22-21(26)17-9-11-20(25)24(23-17)12-13-29-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,22,26)