N-butyl-4-(3-fluorophenyl)-3H-pyrazolo[4,3-b][1,5]benzothiazepine-7-carboxamide

Systemtic Name: N-butyl-4-(3-fluorophenyl)-3H-pyrazolo[4,3-b][1,5]benzothiazepine-7-carboxamide Openeye Name: N-butyl-4-(3-fluorophenyl)-3H-pyrazolo[4,3-b][1,5]benzothiazepine-7-carboxamide CAS Name: N-butyl-4-(3-fluorophenyl)-3H-pyrazolo[4,3-b][1,5]benzothiazepine-7-carboxamide IUPAC Name: N-butyl-4-(3-fluorophenyl)-3H-pyrazolo[4,3-b][1,5]benzothiazepine-7-carboxamide Traditional Name: N-butyl-4-(3-fluorophenyl)-3H-pyrazolo[4,3-b][1,5]benzothiazepine-7-carboxamide Formula: C21H19FN4OS MolecularWeight: 394.465163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C(=N2)C4=CC(=CC=C4)F)NN=C3

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C(=N2)C4=CC(=CC=C4)F)NN=C3

InChI

InChI=1S/C21H19FN4OS/c1-2-3-9-23-21(27)14-7-8-17-16(11-14)25-19(13-5-4-6-15(22)10-13)20-18(28-17)12-24-26-20/h4-8,10-12H,2-3,9H2,1H3,(H,23,27)(H,24,26)