3-[7-[(2-ethanoylcyclohexyl)carbamoyl]-6-oxidanylidene-quinolizin-3-yl]oxypropylcarbamoylboron

Systemtic Name: 3-[7-[(2-ethanoylcyclohexyl)carbamoyl]-6-oxidanylidene-quinolizin-3-yl]oxypropylcarbamoylboron Openeye Name: 3-[7-[(2-acetylcyclohexyl)carbamoyl]-6-oxo-quinolizin-3-yl]oxypropylcarbamoylboron CAS Name: [[3-[[7-[[(2-acetylcyclohexyl)amino]-oxomethyl]-6-oxo-3-quinolizinyl]oxy]propylamino]-oxomethyl]boron IUPAC Name: 3-[7-[(2-acetylcyclohexyl)carbamoyl]-6-oxoquinolizin-3-yl]oxypropylcarbamoylboron Traditional Name: 3-[7-[(2-acetylcyclohexyl)carbamoyl]-6-keto-quinolizin-3-yl]oxypropylcarbamoylboron Formula: C22H26BN3O5 MolecularWeight: 423.26994

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NCCCOC1=CN2C(=CC=C(C2=O)C(=O)NC3CCCCC3C(=O)C)C=C1

Isomeric SMILES

[B]C(=O)NCCCOC1=CN2C(=CC=C(C2=O)C(=O)NC3CCCCC3C(=O)C)C=C1

InChI

InChI=1S/C22H26BN3O5/c1-14(27)17-5-2-3-6-19(17)25-20(28)18-10-8-15-7-9-16(13-26(15)21(18)29)31-12-4-11-24-22(23)30/h7-10,13,17,19H,2-6,11-12H2,1H3,(H,24,30)(H,25,28)