6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one

Systemtic Name: 6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one Openeye Name: 6-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-(m-tolyl)-4,5-dihydropyridazin-3-one CAS Name: 6-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one IUPAC Name: 6-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one Traditional Name: 6-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-(m-tolyl)-4,5-dihydropyridazin-3-one Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)CCC(=N2)C(=O)N3CCCSC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)CCC(=N2)C(=O)N3CCCSC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O2S/c1-15-6-4-7-16(14-15)24-20(25)11-10-17(22-24)21(26)23-12-5-13-27-19-9-3-2-8-18(19)23/h2-4,6-9,14H,5,10-13H2,1H3