4-[imidazol-1-yl(methyl)amino]benzenecarbonitrile; methyl benzoate

Systemtic Name: 4-[imidazol-1-yl(methyl)amino]benzenecarbonitrile; methyl benzoate Openeye Name: 4-[imidazol-1-yl(methyl)amino]benzonitrile; methyl benzoate CAS Name: benzoic acid methyl ester; 4-[1-imidazolyl(methyl)amino]benzonitrile IUPAC Name: 4-[imidazol-1-yl(methyl)amino]benzonitrile; methyl benzoate Traditional Name: benzoic acid methyl ester; 4-[imidazol-1-yl(methyl)amino]benzonitrile Formula: C19H18N4O2 MolecularWeight: 334.37182

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C#N)N2C=CN=C2.COC(=O)C1=CC=CC=C1

Isomeric SMILES

CN(C1=CC=C(C=C1)C#N)N2C=CN=C2.COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C11H10N4.C8H8O2/c1-14(15-7-6-13-9-15)11-4-2-10(8-12)3-5-11;1-10-8(9)7-5-3-2-4-6-7/h2-7,9H,1H3;2-6H,1H3