6-nitro-1-[2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)carbonyl]pyrazolidin-1-yl]hexan-1-one

Systemtic Name: 6-nitro-1-[2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)carbonyl]pyrazolidin-1-yl]hexan-1-one Openeye Name: 6-nitro-1-[2-[2-(3-pyridyl)thiazole-4-carbonyl]pyrazolidin-1-yl]hexan-1-one CAS Name: 6-nitro-1-[2-[oxo-[2-(3-pyridinyl)-4-thiazolyl]methyl]-1-pyrazolidinyl]-1-hexanone IUPAC Name: 6-nitro-1-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]hexan-1-one Traditional Name: 6-nitro-1-[2-[2-(3-pyridyl)thiazole-4-carbonyl]pyrazolidin-1-yl]hexan-1-one Formula: C18H21N5O4S MolecularWeight: 403.45544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=O)C2=CSC(=N2)C3=CN=CC=C3)C(=O)CCCCC[N+](=O)[O-]

Isomeric SMILES

C1CN(N(C1)C(=O)C2=CSC(=N2)C3=CN=CC=C3)C(=O)CCCCC[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4S/c24-16(7-2-1-3-11-23(26)27)21-9-5-10-22(21)18(25)15-13-28-17(20-15)14-6-4-8-19-12-14/h4,6,8,12-13H,1-3,5,7,9-11H2