N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5)OC1

InChI

InChI=1S/C25H21N3O3S/c29-23(26-18-11-12-21-22(15-18)31-14-6-13-30-21)16-32-25-20-10-5-4-9-19(20)24(27-28-25)17-7-2-1-3-8-17/h1-5,7-12,15H,6,13-14,16H2,(H,26,29)