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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-2-phenyl-phthalazin-1-one Openeye Name: 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-phenyl-phthalazin-1-one CAS Name: 4-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-phenylphthalazin-1-one Traditional Name: 4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-phenyl-phthalazin-1-one Formula: C24H19N3O2S MolecularWeight: 413.49156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C24H19N3O2S/c28-23-19-12-5-4-11-18(19)22(25-27(23)17-9-2-1-3-10-17)24(29)26-15-8-16-30-21-14-7-6-13-20(21)26/h1-7,9-14H,8,15-16H2