[1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxidanylidene-propan-2-yl] 1,3-benzoxazole-6-carboxylate

Systemtic Name: [1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxidanylidene-propan-2-yl] 1,3-benzoxazole-6-carboxylate Openeye Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-methyl-2-oxo-ethyl] 1,3-benzoxazole-6-carboxylate CAS Name: 1,3-benzoxazole-6-carboxylic acid [1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxopropan-2-yl] 1,3-benzoxazole-6-carboxylate Traditional Name: 1,3-benzoxazole-6-carboxylic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-1-methyl-ethyl] ester Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31)OC(=O)C4=CC5=C(C=C4)N=CO5

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31)OC(=O)C4=CC5=C(C=C4)N=CO5

InChI

InChI=1S/C25H20N2O4/c1-16(31-25(29)19-12-13-20-23(14-19)30-15-26-20)24(28)27-21-8-4-2-6-17(21)10-11-18-7-3-5-9-22(18)27/h2-9,12-16H,10-11H2,1H3