4-oxidanylidene-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-(1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(1-isopropylpyrazolo[3,4-b]pyridin-5-yl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C19H19N5O2S MolecularWeight: 381.45146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C19H19N5O2S/c1-11(2)24-18-13(9-21-24)7-14(10-20-18)22-19(26)12-3-4-16-15(8-12)23-17(25)5-6-27-16/h3-4,7-11H,5-6H2,1-2H3,(H,22,26)(H,23,25)