3-[3-bromanyl-4-[(2-cyanophenyl)methoxy]phenyl]-2-cyano-N-cyclopropyl-prop-2-enamide

Systemtic Name: 3-[3-bromanyl-4-[(2-cyanophenyl)methoxy]phenyl]-2-cyano-N-cyclopropyl-prop-2-enamide Openeye Name: 3-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]-2-cyano-N-cyclopropyl-prop-2-enamide CAS Name: 3-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]-2-cyano-N-cyclopropyl-2-propenamide IUPAC Name: 3-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]-2-cyano-N-cyclopropylprop-2-enamide Traditional Name: 3-[3-bromo-4-(2-cyanobenzyl)oxy-phenyl]-2-cyano-N-cyclopropyl-acrylamide Formula: C21H16BrN3O2 MolecularWeight: 422.27464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3C#N)Br)C#N

Isomeric SMILES

C1CC1NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3C#N)Br)C#N

InChI

InChI=1S/C21H16BrN3O2/c22-19-10-14(9-17(12-24)21(26)25-18-6-7-18)5-8-20(19)27-13-16-4-2-1-3-15(16)11-23/h1-5,8-10,18H,6-7,13H2,(H,25,26)