[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone Openeye Name: [4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone CAS Name: [4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-(1,3,5-trimethyl-4-pyrazolyl)methanone IUPAC Name: [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone Traditional Name: [4-(4-chloro-2-nitro-phenyl)piperazino]-(1,3,5-trimethylpyrazol-4-yl)methanone Formula: C17H20ClN5O3 MolecularWeight: 377.8254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN5O3/c1-11-16(12(2)20(3)19-11)17(24)22-8-6-21(7-9-22)14-5-4-13(18)10-15(14)23(25)26/h4-5,10H,6-9H2,1-3H3