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

Systemtic Name: 1-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one Openeye Name: 1-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-3-(3-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-3-(3-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(2-chloro-4-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=C(C=C2)F)Cl)C(=O)CCN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)C(=O)CCN3C=CC(=N3)[N+](=O)[O-]

InChI

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