4-[3-(4-fluorophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-[(1S)-1-phenylethyl]butanamide

Systemtic Name: 4-[3-(4-fluorophenyl)-6-oxidanylidene-pyridazin-1-yl]-N-[(1S)-1-phenylethyl]butanamide Openeye Name: 4-[3-(4-fluorophenyl)-6-oxo-pyridazin-1-yl]-N-[(1S)-1-phenylethyl]butanamide CAS Name: 4-[3-(4-fluorophenyl)-6-oxo-1-pyridazinyl]-N-[(1S)-1-phenylethyl]butanamide IUPAC Name: 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(1S)-1-phenylethyl]butanamide Traditional Name: 4-[3-(4-fluorophenyl)-6-keto-pyridazin-1-yl]-N-[(1S)-1-phenylethyl]butyramide Formula: C22H22FN3O2 MolecularWeight: 379.427383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN3O2/c1-16(17-6-3-2-4-7-17)24-21(27)8-5-15-26-22(28)14-13-20(25-26)18-9-11-19(23)12-10-18/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,24,27)/t16-/m0/s1