2-[3-[[1-(2-fluorophenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]indol-1-yl]ethanenitrile

Systemtic Name: 2-[3-[[1-(2-fluorophenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]indol-1-yl]ethanenitrile Openeye Name: 2-[3-[[1-(2-fluorophenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]indol-1-yl]acetonitrile CAS Name: 2-[3-[[1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-1-indolyl]acetonitrile IUPAC Name: 2-[3-[[1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetonitrile Traditional Name: 2-[3-[[1-(2-fluorophenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]indol-1-yl]acetonitrile Formula: C21H13FN4O3 MolecularWeight: 388.351323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC#N)C=C3C(=O)NC(=O)N(C3=O)C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC#N)C=C3C(=O)NC(=O)N(C3=O)C4=CC=CC=C4F

InChI

InChI=1S/C21H13FN4O3/c22-16-6-2-4-8-18(16)26-20(28)15(19(27)24-21(26)29)11-13-12-25(10-9-23)17-7-3-1-5-14(13)17/h1-8,11-12H,10H2,(H,24,27,29)