[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(5-ethyl-1-phenyl-pyrazol-4-yl)methanone

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(5-ethyl-1-phenyl-pyrazol-4-yl)methanone Openeye Name: [4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-(5-ethyl-1-phenyl-pyrazol-4-yl)methanone CAS Name: [4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-(5-ethyl-1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(5-ethyl-1-phenylpyrazol-4-yl)methanone Traditional Name: [4-(4-chloro-2-nitro-phenyl)piperazino]-(5-ethyl-1-phenyl-pyrazol-4-yl)methanone Formula: C22H22ClN5O3 MolecularWeight: 439.89478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H22ClN5O3/c1-2-19-18(15-24-27(19)17-6-4-3-5-7-17)22(29)26-12-10-25(11-13-26)20-9-8-16(23)14-21(20)28(30)31/h3-9,14-15H,2,10-13H2,1H3