N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxy-6-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxy-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxy-6-oxo-pyridazine-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxy-6-oxo-3-pyridazinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-homoveratryl-6-keto-4-methoxy-pyridazine-3-carboxamide Formula: C22H22FN3O5 MolecularWeight: 427.425583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=NN(C(=O)C=C2OC)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=NN(C(=O)C=C2OC)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H22FN3O5/c1-29-17-9-4-14(12-18(17)30-2)10-11-24-22(28)21-19(31-3)13-20(27)26(25-21)16-7-5-15(23)6-8-16/h4-9,12-13H,10-11H2,1-3H3,(H,24,28)