2-[[6-oxidanylidene-7-(1-phenylpropylcarbamoyl)quinolizin-2-yl]amino]ethylcarbamoylboron

Systemtic Name: 2-[[6-oxidanylidene-7-(1-phenylpropylcarbamoyl)quinolizin-2-yl]amino]ethylcarbamoylboron Openeye Name: 2-[[6-oxo-7-(1-phenylpropylcarbamoyl)quinolizin-2-yl]amino]ethylcarbamoylboron CAS Name: [oxo-[2-[[6-oxo-7-[oxo-(1-phenylpropylamino)methyl]-2-quinolizinyl]amino]ethylamino]methyl]boron IUPAC Name: 2-[[6-oxo-7-(1-phenylpropylcarbamoyl)quinolizin-2-yl]amino]ethylcarbamoylboron Traditional Name: 2-[[6-keto-7-(1-phenylpropylcarbamoyl)quinolizin-2-yl]amino]ethylcarbamoylboron Formula: C22H23BN4O3 MolecularWeight: 402.25402

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H23BN4O3/c1-2-19(15-6-4-3-5-7-15)26-20(28)18-9-8-17-14-16(10-13-27(17)21(18)29)24-11-12-25-22(23)30/h3-10,13-14,19,24H,2,11-12H2,1H3,(H,25,30)(H,26,28)