3-[6-oxidanylidene-7-(1-phenylpropylcarbamoyl)quinolizin-3-yl]oxypropylcarbamoylboron

Systemtic Name: 3-[6-oxidanylidene-7-(1-phenylpropylcarbamoyl)quinolizin-3-yl]oxypropylcarbamoylboron Openeye Name: 3-[6-oxo-7-(1-phenylpropylcarbamoyl)quinolizin-3-yl]oxypropylcarbamoylboron CAS Name: [oxo-[3-[[6-oxo-7-[oxo-(1-phenylpropylamino)methyl]-3-quinolizinyl]oxy]propylamino]methyl]boron IUPAC Name: 3-[6-oxo-7-(1-phenylpropylcarbamoyl)quinolizin-3-yl]oxypropylcarbamoylboron Traditional Name: 3-[6-keto-7-(1-phenylpropylcarbamoyl)quinolizin-3-yl]oxypropylcarbamoylboron Formula: C23H24BN3O4 MolecularWeight: 417.26536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NCCCOC1=CN2C(=CC=C(C2=O)C(=O)NC(CC)C3=CC=CC=C3)C=C1

Isomeric SMILES

[B]C(=O)NCCCOC1=CN2C(=CC=C(C2=O)C(=O)NC(CC)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C23H24BN3O4/c1-2-20(16-7-4-3-5-8-16)26-21(28)19-12-10-17-9-11-18(15-27(17)22(19)29)31-14-6-13-25-23(24)30/h3-5,7-12,15,20H,2,6,13-14H2,1H3,(H,25,30)(H,26,28)