[5-methyl-3-(2-methylpropyl)-1-(4-nitrophenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [5-methyl-3-(2-methylpropyl)-1-(4-nitrophenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [3-isobutyl-5-methyl-1-(4-nitrophenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [5-methyl-3-(2-methylpropyl)-1-(4-nitrophenyl)-4-pyrazolyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [5-methyl-3-(2-methylpropyl)-1-(4-nitrophenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [3-isobutyl-5-methyl-1-(4-nitrophenyl)pyrazol-4-yl]-(4-methylpiperazino)methanone Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])CC(C)C)C(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])CC(C)C)C(=O)N3CCN(CC3)C

InChI

InChI=1S/C20H27N5O3/c1-14(2)13-18-19(20(26)23-11-9-22(4)10-12-23)15(3)24(21-18)16-5-7-17(8-6-16)25(27)28/h5-8,14H,9-13H2,1-4H3