ethanoic acid; 3-[(1-methylimidazol-4-yl)methylamino]benzenecarbonitrile

Systemtic Name: ethanoic acid; 3-[(1-methylimidazol-4-yl)methylamino]benzenecarbonitrile Openeye Name: acetic acid; 3-[(1-methylimidazol-4-yl)methylamino]benzonitrile CAS Name: acetic acid; 3-[(1-methyl-4-imidazolyl)methylamino]benzonitrile IUPAC Name: acetic acid; 3-[(1-methylimidazol-4-yl)methylamino]benzonitrile Traditional Name: acetic acid; 3-[(1-methylimidazol-4-yl)methylamino]benzonitrile Formula: C14H16N4O2 MolecularWeight: 272.30244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CN1C=C(N=C1)CNC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(=O)O.CN1C=C(N=C1)CNC2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H12N4.C2H4O2/c1-16-8-12(15-9-16)7-14-11-4-2-3-10(5-11)6-13;1-2(3)4/h2-5,8-9,14H,7H2,1H3;1H3,(H,3,4)