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

Systemtic Name: 4-(5-methyl-3-nitro-pyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one Openeye Name: 4-(5-methyl-3-nitro-pyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one CAS Name: 4-(5-methyl-3-nitro-1-pyrazolyl)-1-(4-phenyl-1-piperazinyl)-1-butanone IUPAC Name: 4-(5-methyl-3-nitropyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one Traditional Name: 4-(5-methyl-3-nitro-pyrazol-1-yl)-1-(4-phenylpiperazino)butan-1-one Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3/c1-15-14-17(23(25)26)19-22(15)9-5-8-18(24)21-12-10-20(11-13-21)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3