6-morpholin-4-ylcarbonyl-2,2-diphenyl-1,3-benzodioxole-5-carbonitrile

Systemtic Name: 6-morpholin-4-ylcarbonyl-2,2-diphenyl-1,3-benzodioxole-5-carbonitrile Openeye Name: 6-(morpholine-4-carbonyl)-2,2-diphenyl-1,3-benzodioxole-5-carbonitrile CAS Name: 6-[4-morpholinyl(oxo)methyl]-2,2-diphenyl-1,3-benzodioxole-5-carbonitrile IUPAC Name: 6-(morpholine-4-carbonyl)-2,2-diphenyl-1,3-benzodioxole-5-carbonitrile Traditional Name: 6-(morpholine-4-carbonyl)-2,2-diphenyl-piperonylonitrile Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2C#N)OC(O3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2C#N)OC(O3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H20N2O4/c26-17-18-15-22-23(16-21(18)24(28)27-11-13-29-14-12-27)31-25(30-22,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,15-16H,11-14H2