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

Systemtic Name: 1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one Openeye Name: 1-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-3-(3-methoxy-4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(2-chloro-6-fluoro-benzyl)piperazino]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one Formula: C18H21ClFN5O4 MolecularWeight: 425.841843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

InChI

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