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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCC(SC3=CC=CC=C32)C4=CC=CC=C4OC)C

Isomeric SMILES

CC1=NN(C=C1CN2CCC(SC3=CC=CC=C32)C4=CC=CC=C4OC)C

InChI

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