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

Systemtic Name: [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-(2-methyl-4-nitro-pyrazol-3-yl)methanone Openeye Name: [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-(2-methyl-4-nitro-pyrazol-3-yl)methanone CAS Name: [4-[(3,4-dichlorophenyl)methyl]-1-piperazinyl]-(2-methyl-4-nitro-3-pyrazolyl)methanone IUPAC Name: [4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-(2-methyl-4-nitropyrazol-3-yl)methanone Traditional Name: [4-(3,4-dichlorobenzyl)piperazino]-(2-methyl-4-nitro-pyrazol-3-yl)methanone Formula: C16H17Cl2N5O3 MolecularWeight: 398.24388

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H17Cl2N5O3/c1-20-15(14(9-19-20)23(25)26)16(24)22-6-4-21(5-7-22)10-11-2-3-12(17)13(18)8-11/h2-3,8-9H,4-7,10H2,1H3