[4-(1,5-dimethyl-2-oxidanylidene-3,4-dihydroquinazolin-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-borinic acid

Systemtic Name: [4-(1,5-dimethyl-2-oxidanylidene-3,4-dihydroquinazolin-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-borinic acid Openeye Name: [4-(1,5-dimethyl-2-oxo-3,4-dihydroquinazolin-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-borinic acid CAS Name: [4-(1,5-dimethyl-2-oxo-3,4-dihydroquinazolin-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid IUPAC Name: [4-(1,5-dimethyl-2-oxo-3,4-dihydroquinazolin-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-methylborinic acid Traditional Name: [4-(2-keto-1,5-dimethyl-3,4-dihydroquinazolin-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-methyl-borinic acid Formula: C16H22BN3O2 MolecularWeight: 299.17578

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCC(=CC1)C2=CC(=C3CNC(=O)N(C3=C2)C)C)O

Isomeric SMILES

B(C)(N1CCC(=CC1)C2=CC(=C3CNC(=O)N(C3=C2)C)C)O

InChI

InChI=1S/C16H22BN3O2/c1-11-8-13(12-4-6-20(7-5-12)17(2)22)9-15-14(11)10-18-16(21)19(15)3/h4,8-9,22H,5-7,10H2,1-3H3,(H,18,21)