[4,4-dimethyl-2-morpholin-4-yl-6-(1H-1,2,4-triazol-5-ylimino)cyclohexen-1-yl]-phenyl-phosphinic acid

Systemtic Name: [4,4-dimethyl-2-morpholin-4-yl-6-(1H-1,2,4-triazol-5-ylimino)cyclohexen-1-yl]-phenyl-phosphinic acid Openeye Name: [4,4-dimethyl-2-morpholino-6-(1H-1,2,4-triazol-5-ylimino)cyclohexen-1-yl]-phenyl-phosphinic acid CAS Name: [4,4-dimethyl-2-(4-morpholinyl)-6-(1H-1,2,4-triazol-5-ylimino)-1-cyclohexenyl]-phenylphosphinic acid IUPAC Name: [4,4-dimethyl-2-morpholin-4-yl-6-(1H-1,2,4-triazol-5-ylimino)cyclohexen-1-yl]-phenylphosphinic acid Traditional Name: [4,4-dimethyl-2-morpholino-6-(1H-1,2,4-triazol-5-ylimino)cyclohexen-1-yl]-phenyl-phosphinic acid Formula: C20H26N5O3P MolecularWeight: 415.425901

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=NC2=NC=NN2)C1)P(=O)(C3=CC=CC=C3)O)N4CCOCC4)C

Isomeric SMILES

CC1(CC(=C(C(=NC2=NC=NN2)C1)P(=O)(C3=CC=CC=C3)O)N4CCOCC4)C

InChI

InChI=1S/C20H26N5O3P/c1-20(2)12-16(23-19-21-14-22-24-19)18(17(13-20)25-8-10-28-11-9-25)29(26,27)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,26,27)(H,21,22,24)