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

Systemtic Name: 4-[[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[4-[4-(3-bromophenyl)thiazol-2-yl]-1-piperidyl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[4-[4-(3-bromophenyl)-2-thiazolyl]-1-piperidinyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[4-[4-(3-bromophenyl)thiazol-2-yl]piperidino]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C26H27BrN4OS MolecularWeight: 523.48778

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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)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCC(CC3)C4=NC(=CS4)C5=CC(=CC=C5)Br

InChI

InChI=1S/C26H27BrN4OS/c1-18-23(26(32)31(29(18)2)22-9-4-3-5-10-22)16-30-13-11-19(12-14-30)25-28-24(17-33-25)20-7-6-8-21(27)15-20/h3-10,15,17,19H,11-14,16H2,1-2H3