N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-fluorophenyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-fluorobenzyl)thio]nicotinamide Formula: C22H19FN2O3S MolecularWeight: 410.461263

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC=C(C=C4)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC=C(C=C4)F)OC1

InChI

InChI=1S/C22H19FN2O3S/c23-16-6-4-15(5-7-16)14-29-22-18(3-1-10-24-22)21(26)25-17-8-9-19-20(13-17)28-12-2-11-27-19/h1,3-10,13H,2,11-12,14H2,(H,25,26)