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

Systemtic Name: 1-(2-chlorophenyl)-6-methyl-3-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]pyridazin-4-one Openeye Name: 1-(2-chlorophenyl)-6-methyl-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)pyridazin-4-one CAS Name: 1-(2-chlorophenyl)-6-methyl-3-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]-4-pyridazinone IUPAC Name: 1-(2-chlorophenyl)-6-methyl-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)pyridazin-4-one Traditional Name: 1-(2-chlorophenyl)-6-methyl-3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)pyridazin-4-one Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=NN(C(=CC3=O)C)C4=CC=CC=C4Cl

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=NN(C(=CC3=O)C)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H20ClN3O2S/c1-14-13-19(27)21(24-26(14)17-8-4-3-7-16(17)23)22(28)25-12-11-15(2)29-20-10-6-5-9-18(20)25/h3-10,13,15H,11-12H2,1-2H3