1-[4-[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[4-[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanoyl]piperidine-4-carboxamide Openeye Name: 1-[4-[3-(3,4-dimethoxyphenyl)-6-oxo-pyridazin-1-yl]butanoyl]piperidine-4-carboxamide CAS Name: 1-[4-[3-(3,4-dimethoxyphenyl)-6-oxo-1-pyridazinyl]-1-oxobutyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanoyl]piperidine-4-carboxamide Traditional Name: 1-[4-[3-(3,4-dimethoxyphenyl)-6-keto-pyridazin-1-yl]butanoyl]isonipecotamide Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)N3CCC(CC3)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)N3CCC(CC3)C(=O)N)OC

InChI

InChI=1S/C22H28N4O5/c1-30-18-7-5-16(14-19(18)31-2)17-6-8-21(28)26(24-17)11-3-4-20(27)25-12-9-15(10-13-25)22(23)29/h5-8,14-15H,3-4,9-13H2,1-2H3,(H2,23,29)