N-(azepan-1-yl)-4-pyridin-3-yl-3H-pyrazolo[4,3-b][1,5]benzothiazepine-7-carboxamide

Systemtic Name: N-(azepan-1-yl)-4-pyridin-3-yl-3H-pyrazolo[4,3-b][1,5]benzothiazepine-7-carboxamide Openeye Name: N-(azepan-1-yl)-4-(3-pyridyl)-3H-pyrazolo[4,3-b][1,5]benzothiazepine-7-carboxamide CAS Name: N-(1-azepanyl)-4-(3-pyridinyl)-3H-pyrazolo[4,3-b][1,5]benzothiazepine-7-carboxamide IUPAC Name: N-(azepan-1-yl)-4-pyridin-3-yl-3H-pyrazolo[4,3-b][1,5]benzothiazepine-7-carboxamide Traditional Name: N-(azepan-1-yl)-4-(3-pyridyl)-3H-pyrazolo[4,3-b][1,5]benzothiazepine-7-carboxamide Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)NC(=O)C2=CC3=C(C=C2)SC4=C(C(=N3)C5=CN=CC=C5)NN=C4

Isomeric SMILES

C1CCCN(CC1)NC(=O)C2=CC3=C(C=C2)SC4=C(C(=N3)C5=CN=CC=C5)NN=C4

InChI

InChI=1S/C22H22N6OS/c29-22(27-28-10-3-1-2-4-11-28)15-7-8-18-17(12-15)25-20(16-6-5-9-23-13-16)21-19(30-18)14-24-26-21/h5-9,12-14H,1-4,10-11H2,(H,24,26)(H,27,29)