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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phthalazin-1-one CAS Name: 4-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phthalazin-1-one Traditional Name: 2-benzyl-4-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phthalazin-1-one Formula: C25H21N3O2S MolecularWeight: 427.51814

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H21N3O2S/c29-24-20-12-5-4-11-19(20)23(26-28(24)17-18-9-2-1-3-10-18)25(30)27-15-8-16-31-22-14-7-6-13-21(22)27/h1-7,9-14H,8,15-17H2