(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanone

Systemtic Name: (4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanone Openeye Name: [4-methyl-2-(1-piperidyl)thiazol-5-yl]-[3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]methanone CAS Name: [4-methyl-2-(1-piperidinyl)-5-thiazolyl]-[3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]methanone IUPAC Name: (4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanone Traditional Name: (4-methyl-2-piperidino-thiazol-5-yl)-[3-nitro-4-[4-(2-pyridyl)piperazino]phenyl]methanone Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2CCCCC2)C(=O)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)N2CCCCC2)C(=O)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C25H28N6O3S/c1-18-24(35-25(27-18)30-11-5-2-6-12-30)23(32)19-8-9-20(21(17-19)31(33)34)28-13-15-29(16-14-28)22-7-3-4-10-26-22/h3-4,7-10,17H,2,5-6,11-16H2,1H3