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

Systemtic Name: 1-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one Openeye Name: 1-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-3-(3-methoxy-4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(2-chloro-4-fluoro-benzyl)piperazino]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one Formula: C18H21ClFN5O4 MolecularWeight: 425.841843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C18H21ClFN5O4/c1-29-18-16(25(27)28)12-24(21-18)5-4-17(26)23-8-6-22(7-9-23)11-13-2-3-14(20)10-15(13)19/h2-3,10,12H,4-9,11H2,1H3