3-[[(E)-4-[4-(4-bromophenyl)carbonylphenoxy]but-2-enyl]-methyl-amino]propanenitrile

Systemtic Name: 3-[[(E)-4-[4-(4-bromophenyl)carbonylphenoxy]but-2-enyl]-methyl-amino]propanenitrile Openeye Name: 3-[[(E)-4-[4-(4-bromobenzoyl)phenoxy]but-2-enyl]-methyl-amino]propanenitrile CAS Name: 3-[[(E)-4-[4-[(4-bromophenyl)-oxomethyl]phenoxy]but-2-enyl]-methylamino]propanenitrile IUPAC Name: 3-[[(E)-4-[4-(4-bromobenzoyl)phenoxy]but-2-enyl]-methylamino]propanenitrile Traditional Name: 3-[[(E)-4-[4-(4-bromobenzoyl)phenoxy]but-2-enyl]-methyl-amino]propionitrile Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)CC=CCOC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CN(CCC#N)C/C=C/COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H21BrN2O2/c1-24(15-4-13-23)14-2-3-16-26-20-11-7-18(8-12-20)21(25)17-5-9-19(22)10-6-17/h2-3,5-12H,4,14-16H2,1H3/b3-2+