1-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]azepane

Systemtic Name: 1-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]azepane Openeye Name: 1-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]azepane CAS Name: 1-[6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]azepane IUPAC Name: 1-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]azepane Traditional Name: 1-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]azepane Formula: C20H25FN6O2 MolecularWeight: 400.449903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C20H25FN6O2/c21-16-7-3-4-8-17(16)24-11-13-26(14-12-24)20-18(27(28)29)19(22-15-23-20)25-9-5-1-2-6-10-25/h3-4,7-8,15H,1-2,5-6,9-14H2