N-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]methyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)SCCC(=O)N4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)SCCC(=O)N4)C

InChI

InChI=1S/C21H21N5O2S/c1-13-9-14(2)26(25-13)19-6-3-15(11-22-19)12-23-21(28)16-4-5-18-17(10-16)24-20(27)7-8-29-18/h3-6,9-11H,7-8,12H2,1-2H3,(H,23,28)(H,24,27)