N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxo-3-pyridazinecarboxamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(2-fluorophenyl)-4-keto-6-methyl-pyridazine-3-carboxamide Formula: C21H18FN3O4 MolecularWeight: 395.383723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)NC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H18FN3O4/c1-13-10-17(26)20(24-25(13)16-7-3-2-6-15(16)22)21(27)23-11-14-12-28-18-8-4-5-9-19(18)29-14/h2-10,14H,11-12H2,1H3,(H,23,27)/t14-/m0/s1