[1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxidanylidene-propan-2-yl] 1,3-benzoxazole-4-carboxylate

Systemtic Name: [1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxidanylidene-propan-2-yl] 1,3-benzoxazole-4-carboxylate Openeye Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-methyl-2-oxo-ethyl] 1,3-benzoxazole-4-carboxylate CAS Name: 1,3-benzoxazole-4-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-4-carboxylate Traditional Name: 1,3-benzoxazole-4-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=C5C(=CC=C4)OC=N5

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31)OC(=O)C4=C5C(=CC=C4)OC=N5

InChI

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