(E)-3-(4-bromophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]prop-2-enamide

Systemtic Name: (E)-3-(4-bromophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(4-bromophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(4-bromophenyl)-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(4-bromophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(4-bromophenyl)-N-[4-(pyrrolidinomethyl)benzyl]acrylamide Formula: C21H23BrN2O MolecularWeight: 399.32412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)/C=C/C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2O/c22-20-10-7-17(8-11-20)9-12-21(25)23-15-18-3-5-19(6-4-18)16-24-13-1-2-14-24/h3-12H,1-2,13-16H2,(H,23,25)/b12-9+