N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxamide Formula: C22H28N6OS MolecularWeight: 424.56232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)NC3=NC(=CS3)CN4CCCCCC4

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)NC3=NC(=CS3)CN4CCCCCC4

InChI

InChI=1S/C22H28N6OS/c1-16(2)20-18(13-24-28(20)19-9-5-6-10-23-19)21(29)26-22-25-17(15-30-22)14-27-11-7-3-4-8-12-27/h5-6,9-10,13,15-16H,3-4,7-8,11-12,14H2,1-2H3,(H,25,26,29)