4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one Openeye Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one CAS Name: 4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-(4-phenyl-1-piperazinyl)-1-butanone IUPAC Name: 4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one Traditional Name: 4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-1-(4-phenylpiperazino)butan-1-one Formula: C18H22BrN5O3 MolecularWeight: 436.30298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)N2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-])Br

InChI

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