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

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethyl-4-nitro-pyrazol-3-yl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethyl-4-nitro-pyrazol-3-yl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazinyl]-(2,5-dimethyl-4-nitro-3-pyrazolyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethyl-4-nitropyrazol-3-yl)methanone Traditional Name: [4-(3-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=C3)Cl)C

Isomeric SMILES

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

InChI

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