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

Systemtic Name: 6-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-6-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)pyridazin-3-one CAS Name: 6-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-6-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)pyridazin-3-one Traditional Name: 2-benzyl-6-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)pyridazin-3-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-16-13-14-24(19-9-5-6-10-20(19)28-16)22(27)18-11-12-21(26)25(23-18)15-17-7-3-2-4-8-17/h2-12,16H,13-15H2,1H3