1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one

Systemtic Name: 1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one Openeye Name: 1-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-3-(3-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(2-chloro-6-fluoro-benzyl)piperazino]-3-(3-nitropyrazol-1-yl)propan-1-one Formula: C17H19ClFN5O3 MolecularWeight: 395.815863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)CCN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)CCN3C=CC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H19ClFN5O3/c18-14-2-1-3-15(19)13(14)12-21-8-10-22(11-9-21)17(25)5-7-23-6-4-16(20-23)24(26)27/h1-4,6H,5,7-12H2