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

Systemtic Name: (2-methyl-3-nitro-phenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone Openeye Name: (2-methyl-3-nitro-phenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone CAS Name: (2-methyl-3-nitrophenyl)-[4-[(1-methyl-4-pyrazolyl)methyl]-1-piperazinyl]methanone IUPAC Name: (2-methyl-3-nitrophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone Traditional Name: (2-methyl-3-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[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CN(N=C3)C

Isomeric SMILES

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

InChI

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