N'-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-methyl-benzohydrazide

Systemtic Name: N'-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-methyl-benzohydrazide Openeye Name: N'-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-methyl-benzohydrazide CAS Name: N'-[6-[4-(4-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-methylbenzohydrazide IUPAC Name: N'-[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-4-methylbenzohydrazide Traditional Name: N'-[6-[4-(4-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-4-methyl-benzohydrazide Formula: C22H22FN7O3 MolecularWeight: 451.453583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN7O3/c1-15-2-4-16(5-3-15)22(31)27-26-20-19(30(32)33)21(25-14-24-20)29-12-10-28(11-13-29)18-8-6-17(23)7-9-18/h2-9,14H,10-13H2,1H3,(H,27,31)(H,24,25,26)