4-[2-(2-bromanylprop-2-enylamino)ethyl-[(3-methylimidazol-4-yl)methyl]amino]benzenecarbonitrile

Systemtic Name: 4-[2-(2-bromanylprop-2-enylamino)ethyl-[(3-methylimidazol-4-yl)methyl]amino]benzenecarbonitrile Openeye Name: 4-[2-(2-bromoallylamino)ethyl-[(3-methylimidazol-4-yl)methyl]amino]benzonitrile CAS Name: 4-[2-(2-bromoprop-2-enylamino)ethyl-[(3-methyl-4-imidazolyl)methyl]amino]benzonitrile IUPAC Name: 4-[2-(2-bromoprop-2-enylamino)ethyl-[(3-methylimidazol-4-yl)methyl]amino]benzonitrile Traditional Name: 4-[2-(2-bromoallylamino)ethyl-[(3-methylimidazol-4-yl)methyl]amino]benzonitrile Formula: C17H20BrN5 MolecularWeight: 374.2782

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN(CCNCC(=C)Br)C2=CC=C(C=C2)C#N

Isomeric SMILES

CN1C=NC=C1CN(CCNCC(=C)Br)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H20BrN5/c1-14(18)10-20-7-8-23(12-17-11-21-13-22(17)2)16-5-3-15(9-19)4-6-16/h3-6,11,13,20H,1,7-8,10,12H2,2H3