4-[2-(4-methoxyphenyl)-5-morpholin-4-ylcarbonyl-1,3-benzodioxol-2-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(4-methoxyphenyl)-5-morpholin-4-ylcarbonyl-1,3-benzodioxol-2-yl]benzenecarbonitrile Openeye Name: 4-[2-(4-methoxyphenyl)-5-(morpholine-4-carbonyl)-1,3-benzodioxol-2-yl]benzonitrile CAS Name: 4-[2-(4-methoxyphenyl)-5-[4-morpholinyl(oxo)methyl]-1,3-benzodioxol-2-yl]benzonitrile IUPAC Name: 4-[2-(4-methoxyphenyl)-5-(morpholine-4-carbonyl)-1,3-benzodioxol-2-yl]benzonitrile Traditional Name: 4-[2-(4-methoxyphenyl)-5-(morpholine-4-carbonyl)-1,3-benzodioxol-2-yl]benzonitrile Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(OC3=C(O2)C=C(C=C3)C(=O)N4CCOCC4)C5=CC=C(C=C5)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2(OC3=C(O2)C=C(C=C3)C(=O)N4CCOCC4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H22N2O5/c1-30-22-9-7-21(8-10-22)26(20-5-2-18(17-27)3-6-20)32-23-11-4-19(16-24(23)33-26)25(29)28-12-14-31-15-13-28/h2-11,16H,12-15H2,1H3