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4-(2-diethoxyphosphoryl-3H-azepin-3-yl)-2-ethyl-5-phenyl-1,2,4-triazol-3-one
4-(2-diethoxyphosphoryl-3H-azepin-3-yl)-2-ethyl-5-phenyl-1,2,4-triazol-3-one
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Descriptors Computed from Structure
Canonical SMILES:
CCN1C(=O)N(C(=N1)C2=CC=CC=C2)C3C=CC=CN=C3P(=O)(OCC)OCC
Isomeric SMILES
CCN1C(=O)N(C(=N1)C2=CC=CC=C2)C3C=CC=CN=C3P(=O)(OCC)OCC
InChI
InChI=1S/C20H25N4O4P/c1-4-23-20(25)24(18(22-23)16-12-8-7-9-13-16)17-14-10-11-15-21-19(17)29(26,27-5-2)28-6-3/h7-15,17H,4-6H2,1-3H3
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