2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[4-(2-fluorophenyl)-1-piperazinyl]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[4-(2-fluorophenyl)piperazino]-4-keto-6-(4-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C22H20FN5O2 MolecularWeight: 405.424903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3CCN(CC3)C4=CC=CC=C4F)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N3CCN(CC3)C4=CC=CC=C4F)C#N

InChI

InChI=1S/C22H20FN5O2/c1-30-16-8-6-15(7-9-16)20-17(14-24)21(29)26-22(25-20)28-12-10-27(11-13-28)19-5-3-2-4-18(19)23/h2-9H,10-13H2,1H3,(H,25,26,29)