(E)-3-(3-bromophenyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(3-bromophenyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]prop-2-enamide Openeye Name: (E)-3-(3-bromophenyl)-N-[4-(tetrahydrofuran-2-ylmethylcarbamoylamino)phenyl]prop-2-enamide CAS Name: (E)-3-(3-bromophenyl)-N-[4-[[oxo-(2-oxolanylmethylamino)methyl]amino]phenyl]-2-propenamide IUPAC Name: (E)-3-(3-bromophenyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]prop-2-enamide Traditional Name: (E)-3-(3-bromophenyl)-N-[4-(tetrahydrofurfurylcarbamoylamino)phenyl]acrylamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)NC2=CC=C(C=C2)NC(=O)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CC(OC1)CNC(=O)NC2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H22BrN3O3/c22-16-4-1-3-15(13-16)6-11-20(26)24-17-7-9-18(10-8-17)25-21(27)23-14-19-5-2-12-28-19/h1,3-4,6-11,13,19H,2,5,12,14H2,(H,24,26)(H2,23,25,27)/b11-6+