3-(3-bromanyl-4-phenylmethoxy-phenyl)-2-morpholin-4-ylcarbonyl-prop-2-enenitrile

Systemtic Name: 3-(3-bromanyl-4-phenylmethoxy-phenyl)-2-morpholin-4-ylcarbonyl-prop-2-enenitrile Openeye Name: 3-(4-benzyloxy-3-bromo-phenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile CAS Name: 3-(3-bromo-4-phenylmethoxyphenyl)-2-[4-morpholinyl(oxo)methyl]-2-propenenitrile IUPAC Name: 3-(3-bromo-4-phenylmethoxyphenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile Traditional Name: 3-(4-benzoxy-3-bromo-phenyl)-2-(morpholine-4-carbonyl)acrylonitrile Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)Br)C#N

Isomeric SMILES

C1COCCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)Br)C#N

InChI

InChI=1S/C21H19BrN2O3/c22-19-13-17(6-7-20(19)27-15-16-4-2-1-3-5-16)12-18(14-23)21(25)24-8-10-26-11-9-24/h1-7,12-13H,8-11,15H2