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

Systemtic Name: 4-methyl-2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 4-methyl-2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]phthalazin-1-one CAS Name: 4-methyl-2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]-4-methyl-phthalazin-1-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C

InChI

InChI=1S/C21H21N3O2S/c1-14-11-12-23(18-9-5-6-10-19(18)27-14)20(25)13-24-21(26)17-8-4-3-7-16(17)15(2)22-24/h3-10,14H,11-13H2,1-2H3