1-imidazol-1-yl-2-methyl-pentan-3-one; phenyl-propan-2-yl-(3-propan-2-ylphenyl)borane

Systemtic Name: 1-imidazol-1-yl-2-methyl-pentan-3-one; phenyl-propan-2-yl-(3-propan-2-ylphenyl)borane Openeye Name: 1-imidazol-1-yl-2-methyl-pentan-3-one; isopropyl-(3-isopropylphenyl)-phenyl-borane CAS Name: 1-(1-imidazolyl)-2-methyl-3-pentanone; phenyl-propan-2-yl-(3-propan-2-ylphenyl)borane IUPAC Name: 1-imidazol-1-yl-2-methylpentan-3-one; phenyl-propan-2-yl-(3-propan-2-ylphenyl)borane Traditional Name: 1-imidazol-1-yl-2-methyl-pentan-3-one; isopropyl-m-cumenyl-phenyl-borane Formula: C27H37BN2O MolecularWeight: 416.40648

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=CC=C1)(C2=CC(=CC=C2)C(C)C)C(C)C.CCC(=O)C(C)CN1C=CN=C1

Isomeric SMILES

B(C1=CC=CC=C1)(C2=CC(=CC=C2)C(C)C)C(C)C.CCC(=O)C(C)CN1C=CN=C1

InChI

InChI=1S/C18H23B.C9H14N2O/c1-14(2)16-9-8-12-18(13-16)19(15(3)4)17-10-6-5-7-11-17;1-3-9(12)8(2)6-11-5-4-10-7-11/h5-15H,1-4H3;4-5,7-8H,3,6H2,1-2H3