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

Systemtic Name: 4-[(3-methylimidazol-4-yl)methyl-[2-(prop-2-enylamino)ethyl]amino]benzenecarbonitrile Openeye Name: 4-[2-(allylamino)ethyl-[(3-methylimidazol-4-yl)methyl]amino]benzonitrile CAS Name: 4-[(3-methyl-4-imidazolyl)methyl-[2-(prop-2-enylamino)ethyl]amino]benzonitrile IUPAC Name: 4-[(3-methylimidazol-4-yl)methyl-[2-(prop-2-enylamino)ethyl]amino]benzonitrile Traditional Name: 4-[2-(allylamino)ethyl-[(3-methylimidazol-4-yl)methyl]amino]benzonitrile Formula: C17H21N5 MolecularWeight: 295.38214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5/c1-3-8-19-9-10-22(13-17-12-20-14-21(17)2)16-6-4-15(11-18)5-7-16/h3-7,12,14,19H,1,8-10,13H2,2H3