6-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]-2-propyl-pyridazin-3-one

Systemtic Name: 6-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]-2-propyl-pyridazin-3-one Openeye Name: 6-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-propyl-pyridazin-3-one CAS Name: 6-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]-2-propyl-3-pyridazinone IUPAC Name: 6-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-propylpyridazin-3-one Traditional Name: 6-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-propyl-pyridazin-3-one Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)N2CCC(SC3=CC=CC=C32)C

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)N2CCC(SC3=CC=CC=C32)C

InChI

InChI=1S/C18H21N3O2S/c1-3-11-21-17(22)9-8-14(19-21)18(23)20-12-10-13(2)24-16-7-5-4-6-15(16)20/h4-9,13H,3,10-12H2,1-2H3