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

Systemtic Name: N-methyl-4-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-methyl-4-oxo-N-[(1-phenyl-4-pyrazolyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H20N4O2S/c1-24(13-15-12-22-25(14-15)17-5-3-2-4-6-17)21(27)16-7-8-19-18(11-16)23-20(26)9-10-28-19/h2-8,11-12,14H,9-10,13H2,1H3,(H,23,26)