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

Systemtic Name: 4-oxidanylidene-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[[2-(1-pyrazolyl)-3-pyridinyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)N4C=CC=N4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)N4C=CC=N4)NC1=O

InChI

InChI=1S/C19H17N5O2S/c25-17-6-10-27-16-5-4-13(11-15(16)23-17)19(26)21-12-14-3-1-7-20-18(14)24-9-2-8-22-24/h1-5,7-9,11H,6,10,12H2,(H,21,26)(H,23,25)