N-[(1S)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxamide

Systemtic Name: N-[(1S)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxamide Openeye Name: N-[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide CAS Name: N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)-3-pyridazinecarboxamide IUPAC Name: N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide Traditional Name: N-[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-6-keto-1-(2-phenoxyethyl)pyridazine-3-carboxamide Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)OC)F)NC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H22FN3O4/c1-15(16-8-10-20(29-2)18(23)14-16)24-22(28)19-9-11-21(27)26(25-19)12-13-30-17-6-4-3-5-7-17/h3-11,14-15H,12-13H2,1-2H3,(H,24,28)/t15-/m0/s1