1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-3-(5-methyl-3-nitro-pyrazol-1-yl)propan-1-one

Systemtic Name: 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-3-(5-methyl-3-nitro-pyrazol-1-yl)propan-1-one Openeye Name: 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-3-(5-methyl-3-nitro-pyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(2-bromophenyl)methyl]-1-piperazinyl]-3-(5-methyl-3-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(2-bromobenzyl)piperazino]-3-(5-methyl-3-nitro-pyrazol-1-yl)propan-1-one Formula: C18H22BrN5O3 MolecularWeight: 436.30298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)N2CCN(CC2)CC3=CC=CC=C3Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCC(=O)N2CCN(CC2)CC3=CC=CC=C3Br)[N+](=O)[O-]

InChI

InChI=1S/C18H22BrN5O3/c1-14-12-17(24(26)27)20-23(14)7-6-18(25)22-10-8-21(9-11-22)13-15-4-2-3-5-16(15)19/h2-5,12H,6-11,13H2,1H3