1-(4-chlorophenyl)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-6-methyl-pyridazin-4-one

Systemtic Name: 1-(4-chlorophenyl)-3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-6-methyl-pyridazin-4-one Openeye Name: 1-(4-chlorophenyl)-3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-6-methyl-pyridazin-4-one CAS Name: 1-(4-chlorophenyl)-3-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-6-methyl-4-pyridazinone IUPAC Name: 1-(4-chlorophenyl)-3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-6-methylpyridazin-4-one Traditional Name: 1-(4-chlorophenyl)-3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-6-methyl-pyridazin-4-one Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)N3CCCSC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)N3CCCSC4=CC=CC=C43

InChI

InChI=1S/C21H18ClN3O2S/c1-14-13-18(26)20(23-25(14)16-9-7-15(22)8-10-16)21(27)24-11-4-12-28-19-6-3-2-5-17(19)24/h2-3,5-10,13H,4,11-12H2,1H3