(3-methyl-4-nitro-phenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

Systemtic Name: (3-methyl-4-nitro-phenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone Openeye Name: (3-methyl-4-nitro-phenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone CAS Name: (3-methyl-4-nitrophenyl)-[4-[(1-methyl-4-pyrazolyl)methyl]-1-piperazinyl]methanone IUPAC Name: (3-methyl-4-nitrophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone Traditional Name: (3-methyl-4-nitro-phenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazino]methanone Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CN(N=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CN(N=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3/c1-13-9-15(3-4-16(13)22(24)25)17(23)21-7-5-20(6-8-21)12-14-10-18-19(2)11-14/h3-4,9-11H,5-8,12H2,1-2H3