N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C26H21FN4O2S MolecularWeight: 472.533943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5)NC1=O

InChI

InChI=1S/C26H21FN4O2S/c27-20-9-6-17(7-10-20)25-19(16-31(30-25)21-4-2-1-3-5-21)15-28-26(33)18-8-11-23-22(14-18)29-24(32)12-13-34-23/h1-11,14,16H,12-13,15H2,(H,28,33)(H,29,32)