2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CN2CCCSC3=CC=CC=C32

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CN2CCCSC3=CC=CC=C32

InChI

InChI=1S/C17H22N4OS/c1-12-17(13(2)20(3)19-12)18-16(22)11-21-9-6-10-23-15-8-5-4-7-14(15)21/h4-5,7-8H,6,9-11H2,1-3H3,(H,18,22)