1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(1-phenylpyrazol-4-yl)ethanone

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(1-phenylpyrazol-4-yl)ethanone Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(1-phenylpyrazol-4-yl)ethanone CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(1-phenyl-4-pyrazolyl)ethanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(1-phenylpyrazol-4-yl)ethanone Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(1-phenylpyrazol-4-yl)ethanone Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3OS/c1-16-11-12-23(19-9-5-6-10-20(19)26-16)21(25)13-17-14-22-24(15-17)18-7-3-2-4-8-18/h2-10,14-16H,11-13H2,1H3