N-(1,3-benzothiazol-6-yl)-6-(2-pyridin-4-ylpyrrolidin-1-yl)pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-6-yl)-6-(2-pyridin-4-ylpyrrolidin-1-yl)pyridine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-6-yl)-6-[2-(4-pyridyl)pyrrolidin-1-yl]pyridine-3-carboxamide CAS Name: N-(1,3-benzothiazol-6-yl)-6-(2-pyridin-4-yl-1-pyrrolidinyl)-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzothiazol-6-yl)-6-(2-pyridin-4-ylpyrrolidin-1-yl)pyridine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-6-yl)-6-[2-(4-pyridyl)pyrrolidino]nicotinamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=CS4)C5=CC=NC=C5

Isomeric SMILES

C1CC(N(C1)C2=NC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=CS4)C5=CC=NC=C5

InChI

InChI=1S/C22H19N5OS/c28-22(26-17-4-5-18-20(12-17)29-14-25-18)16-3-6-21(24-13-16)27-11-1-2-19(27)15-7-9-23-10-8-15/h3-10,12-14,19H,1-2,11H2,(H,26,28)