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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

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