4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-2-methyl-phthalazin-1-one

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-2-methyl-phthalazin-1-one Openeye Name: 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-methyl-phthalazin-1-one CAS Name: 4-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-2-methyl-1-phthalazinone IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-methylphthalazin-1-one Traditional Name: 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-methyl-phthalazin-1-one Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCSC4=CC=CC=C43

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCSC4=CC=CC=C43

InChI

InChI=1S/C19H17N3O2S/c1-21-18(23)14-8-3-2-7-13(14)17(20-21)19(24)22-11-6-12-25-16-10-5-4-9-15(16)22/h2-5,7-10H,6,11-12H2,1H3