(2-methoxyphenyl)-(2-methylphenyl)-prop-2-enyl-borane; 2-methyl-3-(5-methylimidazol-1-yl)propanenitrile

Systemtic Name: (2-methoxyphenyl)-(2-methylphenyl)-prop-2-enyl-borane; 2-methyl-3-(5-methylimidazol-1-yl)propanenitrile Openeye Name: allyl-(2-methoxyphenyl)-(o-tolyl)borane; 2-methyl-3-(5-methylimidazol-1-yl)propanenitrile CAS Name: (2-methoxyphenyl)-(2-methylphenyl)-prop-2-enylborane; 2-methyl-3-(5-methyl-1-imidazolyl)propanenitrile IUPAC Name: (2-methoxyphenyl)-(2-methylphenyl)-prop-2-enylborane; 2-methyl-3-(5-methylimidazol-1-yl)propanenitrile Traditional Name: allyl-(2-methoxyphenyl)-(o-tolyl)borane; 2-methyl-3-(5-methylimidazol-1-yl)propionitrile Formula: C25H30BN3O MolecularWeight: 399.3362

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Descriptors Computed from Structure

Canonical SMILES:

B(CC=C)(C1=CC=CC=C1C)C2=CC=CC=C2OC.CC1=CN=CN1CC(C)C#N

Isomeric SMILES

B(CC=C)(C1=CC=CC=C1C)C2=CC=CC=C2OC.CC1=CN=CN1CC(C)C#N

InChI

InChI=1S/C17H19BO.C8H11N3/c1-4-13-18(15-10-6-5-9-14(15)2)16-11-7-8-12-17(16)19-3;1-7(3-9)5-11-6-10-4-8(11)2/h4-12H,1,13H2,2-3H3;4,6-7H,5H2,1-2H3