1,5-dimethyl-4-[[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[[4-[4-(2-nitrophenyl)thiazol-2-yl]-1-piperidyl]methyl]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[[4-[4-(2-nitrophenyl)-2-thiazolyl]-1-piperidinyl]methyl]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[[4-[4-(2-nitrophenyl)thiazol-2-yl]piperidino]methyl]-2-phenyl-3-pyrazolin-3-one Formula: C26H27N5O3S MolecularWeight: 489.58928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCC(CC3)C4=NC(=CS4)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCC(CC3)C4=NC(=CS4)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C26H27N5O3S/c1-18-22(26(32)30(28(18)2)20-8-4-3-5-9-20)16-29-14-12-19(13-15-29)25-27-23(17-35-25)21-10-6-7-11-24(21)31(33)34/h3-11,17,19H,12-16H2,1-2H3