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

Systemtic Name: ethanoic acid; 3-[(1-propylimidazol-4-yl)methylamino]benzenecarbonitrile Openeye Name: acetic acid; 3-[(1-propylimidazol-4-yl)methylamino]benzonitrile CAS Name: acetic acid; 3-[(1-propyl-4-imidazolyl)methylamino]benzonitrile IUPAC Name: acetic acid; 3-[(1-propylimidazol-4-yl)methylamino]benzonitrile Traditional Name: acetic acid; 3-[(1-propylimidazol-4-yl)methylamino]benzonitrile Formula: C16H20N4O2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(N=C1)CNC2=CC=CC(=C2)C#N.CC(=O)O

Isomeric SMILES

CCCN1C=C(N=C1)CNC2=CC=CC(=C2)C#N.CC(=O)O

InChI

InChI=1S/C14H16N4.C2H4O2/c1-2-6-18-10-14(17-11-18)9-16-13-5-3-4-12(7-13)8-15;1-2(3)4/h3-5,7,10-11,16H,2,6,9H2,1H3;1H3,(H,3,4)