2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CC3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C23H25N3OS/c1-16-13-14-25(21-11-7-8-12-22(21)28-16)23(27)15-20-17(2)24-26(18(20)3)19-9-5-4-6-10-19/h4-12,16H,13-15H2,1-3H3