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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1[N+](=O)[O-])CCC(=O)N2CCN(CC2)CC3=CC=CC=C3Br

Isomeric SMILES

CC1=NN(C=C1[N+](=O)[O-])CCC(=O)N2CCN(CC2)CC3=CC=CC=C3Br

InChI

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