1-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-methyl-1,4-diazepane

Systemtic Name: 1-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-methyl-1,4-diazepane Openeye Name: 1-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-methyl-1,4-diazepane CAS Name: 1-[6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-methyl-1,4-diazepane IUPAC Name: 1-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-4-methyl-1,4-diazepane Traditional Name: 1-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-4-methyl-1,4-diazepane Formula: C20H26FN7O2 MolecularWeight: 415.464543

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

CN1CCCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C20H26FN7O2/c1-24-7-4-8-26(10-9-24)19-18(28(29)30)20(23-15-22-19)27-13-11-25(12-14-27)17-6-3-2-5-16(17)21/h2-3,5-6,15H,4,7-14H2,1H3