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

Systemtic Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one Openeye Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-3-(3-methoxy-4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(2-fluorobenzyl)piperazino]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one Formula: C18H22FN5O4 MolecularWeight: 391.396783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)N2CCN(CC2)CC3=CC=CC=C3F

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)N2CCN(CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C18H22FN5O4/c1-28-18-16(24(26)27)13-23(20-18)7-6-17(25)22-10-8-21(9-11-22)12-14-4-2-3-5-15(14)19/h2-5,13H,6-12H2,1H3