[5-(2-chlorophenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone

Systemtic Name: [5-(2-chlorophenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone Openeye Name: [5-(2-chlorophenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone CAS Name: [5-(2-chlorophenyl)-2-(3-nitrophenyl)-3-pyrazolyl]-(4-ethyl-1-piperazinyl)methanone IUPAC Name: [5-(2-chlorophenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone Traditional Name: [5-(2-chlorophenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-(4-ethylpiperazino)methanone Formula: C22H22ClN5O3 MolecularWeight: 439.89478

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

InChI

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