4-bromanyl-2-cyclohexyl-1-methyl-5-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrazol-3-one

Systemtic Name: 4-bromanyl-2-cyclohexyl-1-methyl-5-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrazol-3-one Openeye Name: 4-bromo-2-cyclohexyl-1-methyl-5-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrazol-3-one CAS Name: 4-bromo-2-cyclohexyl-1-methyl-5-[[4-(3-phenylpropyl)-1-piperazinyl]methyl]-3-pyrazolone IUPAC Name: 4-bromo-2-cyclohexyl-1-methyl-5-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]pyrazol-3-one Traditional Name: 4-bromo-2-cyclohexyl-1-methyl-5-[[4-(3-phenylpropyl)piperazino]methyl]-3-pyrazolin-3-one Formula: C24H35BrN4O MolecularWeight: 475.4649

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2CCCCC2)Br)CN3CCN(CC3)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C(=C(C(=O)N1C2CCCCC2)Br)CN3CCN(CC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H35BrN4O/c1-26-22(23(25)24(30)29(26)21-12-6-3-7-13-21)19-28-17-15-27(16-18-28)14-8-11-20-9-4-2-5-10-20/h2,4-5,9-10,21H,3,6-8,11-19H2,1H3