4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-keto-ethyl]-2H-phthalazin-1-one Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H17N3O2S/c23-18(22-10-5-11-25-17-9-4-3-8-16(17)22)12-15-13-6-1-2-7-14(13)19(24)21-20-15/h1-4,6-9H,5,10-12H2,(H,21,24)