5-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 5-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-[(1,3-dimethyl-4-pyrazolyl)methyl]-2-(3-fluorophenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzothiazepine Formula: C22H24FN3OS MolecularWeight: 397.508863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCC(SC3=C2C=CC(=C3)OC)C4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=NN(C=C1CN2CCC(SC3=C2C=CC(=C3)OC)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C22H24FN3OS/c1-15-17(13-25(2)24-15)14-26-10-9-21(16-5-4-6-18(23)11-16)28-22-12-19(27-3)7-8-20(22)26/h4-8,11-13,21H,9-10,14H2,1-3H3