5-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 5-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-[(1,5-dimethyl-4-pyrazolyl)methyl]-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CN2CCC(SC3=CC=CC=C32)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(C=NN1C)CN2CCC(SC3=CC=CC=C32)C4=CC(=CC=C4)OC

InChI

InChI=1S/C22H25N3OS/c1-16-18(14-23-24(16)2)15-25-12-11-21(17-7-6-8-19(13-17)26-3)27-22-10-5-4-9-20(22)25/h4-10,13-14,21H,11-12,15H2,1-3H3