N-(2-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide; 1,4-dioxane

Systemtic Name: N-(2-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide; 1,4-dioxane Openeye Name: N-(2-cyanophenyl)-5-methyl-3-phenyl-isoxazole-4-carboxamide; 1,4-dioxane CAS Name: N-(2-cyanophenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide; 1,4-dioxane IUPAC Name: N-(2-cyanophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide; 1,4-dioxane Traditional Name: N-(2-cyanophenyl)-5-methyl-3-phenyl-isoxazole-4-carboxamide; 1,4-dioxane Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C#N.C1COCCO1

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C#N.C1COCCO1

InChI

InChI=1S/C18H13N3O2.C4H8O2/c1-12-16(17(21-23-12)13-7-3-2-4-8-13)18(22)20-15-10-6-5-9-14(15)11-19;1-2-6-4-3-5-1/h2-10H,1H3,(H,20,22);1-4H2