2-[[6-oxidanylidene-7-[(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)carbamoyl]quinolizin-2-yl]amino]ethylcarbamoylboron

Systemtic Name: 2-[[6-oxidanylidene-7-[(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)carbamoyl]quinolizin-2-yl]amino]ethylcarbamoylboron Openeye Name: 2-[[7-[(3-hydroxy-3-oxo-1-phenyl-propyl)carbamoyl]-6-oxo-quinolizin-2-yl]amino]ethylcarbamoylboron CAS Name: [[2-[[7-[[(3-hydroxy-3-oxo-1-phenylpropyl)amino]-oxomethyl]-6-oxo-2-quinolizinyl]amino]ethylamino]-oxomethyl]boron IUPAC Name: 2-[[7-[(3-hydroxy-3-oxo-1-phenylpropyl)carbamoyl]-6-oxoquinolizin-2-yl]amino]ethylcarbamoylboron Traditional Name: 2-[[7-[(3-hydroxy-3-keto-1-phenyl-propyl)carbamoyl]-6-keto-quinolizin-2-yl]amino]ethylcarbamoylboron Formula: C22H21BN4O5 MolecularWeight: 432.23694

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NCCNC1=CC2=CC=C(C(=O)N2C=C1)C(=O)NC(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

[B]C(=O)NCCNC1=CC2=CC=C(C(=O)N2C=C1)C(=O)NC(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H21BN4O5/c23-22(32)25-10-9-24-15-8-11-27-16(12-15)6-7-17(21(27)31)20(30)26-18(13-19(28)29)14-4-2-1-3-5-14/h1-8,11-12,18,24H,9-10,13H2,(H,25,32)(H,26,30)(H,28,29)