N-phenyl-N-(pyridazin-3-ylmethylsulfinyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide

Systemtic Name: N-phenyl-N-(pyridazin-3-ylmethylsulfinyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-phenyl-N-(pyridazin-3-ylmethylsulfinyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-phenyl-N-(3-pyridazinylmethylsulfinyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-phenyl-N-(pyridazin-3-ylmethylsulfinyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-phenyl-N-(pyridazin-3-ylmethylsulfinyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=CC=CC=C2C=C1C(=O)N(C3=CC=CC=C3)S(=O)CC4=NN=CC=C4

Isomeric SMILES

C1CNC2=CC=CC=C2C=C1C(=O)N(C3=CC=CC=C3)S(=O)CC4=NN=CC=C4

InChI

InChI=1S/C22H20N4O2S/c27-22(18-12-14-23-21-11-5-4-7-17(21)15-18)26(20-9-2-1-3-10-20)29(28)16-19-8-6-13-24-25-19/h1-11,13,15,23H,12,14,16H2