[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethyl-4-nitro-pyrazol-3-yl)methanone

Systemtic Name: [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethyl-4-nitro-pyrazol-3-yl)methanone Openeye Name: [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethyl-4-nitro-pyrazol-3-yl)methanone CAS Name: [4-[(2-chlorophenyl)methyl]-1-piperazinyl]-(2,5-dimethyl-4-nitro-3-pyrazolyl)methanone IUPAC Name: [4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethyl-4-nitropyrazol-3-yl)methanone Traditional Name: [4-(2-chlorobenzyl)piperazino]-(2,5-dimethyl-4-nitro-pyrazol-3-yl)methanone Formula: C17H20ClN5O3 MolecularWeight: 377.8254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC=CC=C3Cl)C

InChI

InChI=1S/C17H20ClN5O3/c1-12-15(23(25)26)16(20(2)19-12)17(24)22-9-7-21(8-10-22)11-13-5-3-4-6-14(13)18/h3-6H,7-11H2,1-2H3