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

Systemtic Name: 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzene-1,2-dicarbonitrile Openeye Name: 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxyphthalonitrile CAS Name: 4-[[6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]benzene-1,2-dicarbonitrile IUPAC Name: 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxybenzene-1,2-dicarbonitrile Traditional Name: 4-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]oxyphthalonitrile Formula: C22H16FN7O3 MolecularWeight: 445.405943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)OC4=CC(=C(C=C4)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)OC4=CC(=C(C=C4)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H16FN7O3/c23-18-3-1-2-4-19(18)28-7-9-29(10-8-28)21-20(30(31)32)22(27-14-26-21)33-17-6-5-15(12-24)16(11-17)13-25/h1-6,11,14H,7-10H2