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

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-yl-pyrazol-4-yl)methanone Openeye Name: [4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-[5-isopropyl-1-(2-pyridyl)pyrazol-4-yl]methanone CAS Name: [4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-[5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone Traditional Name: [4-(4-chloro-2-nitro-phenyl)piperazino]-[5-isopropyl-1-(2-pyridyl)pyrazol-4-yl]methanone Formula: C22H23ClN6O3 MolecularWeight: 454.90942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN6O3/c1-15(2)21-17(14-25-28(21)20-5-3-4-8-24-20)22(30)27-11-9-26(10-12-27)18-7-6-16(23)13-19(18)29(31)32/h3-8,13-15H,9-12H2,1-2H3