N-[3-[4-(2-azanylethyl)-2,6-bis(bromanyl)phenoxy]propyl]-1-cyano-methanamide

Systemtic Name: N-[3-[4-(2-azanylethyl)-2,6-bis(bromanyl)phenoxy]propyl]-1-cyano-methanamide Openeye Name: N-[3-[4-(2-aminoethyl)-2,6-dibromo-phenoxy]propyl]-1-cyano-formamide CAS Name: N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-1-cyanoformamide IUPAC Name: N-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]-1-cyanoformamide Traditional Name: N-[3-[4-(2-aminoethyl)-2,6-dibromo-phenoxy]propyl]-1-cyano-formamide Formula: C13H15Br2N3O2 MolecularWeight: 405.0851

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)OCCCNC(=O)C#N)Br)CCN

Isomeric SMILES

C1=C(C=C(C(=C1Br)OCCCNC(=O)C#N)Br)CCN

InChI

InChI=1S/C13H15Br2N3O2/c14-10-6-9(2-3-16)7-11(15)13(10)20-5-1-4-18-12(19)8-17/h6-7H,1-5,16H2,(H,18,19)