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

Systemtic Name: [1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxidanylidene-propan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-methyl-2-oxo-ethyl] 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-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] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-1-methyl-ethyl] ester Formula: C25H21N3O3 MolecularWeight: 411.45254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31)OC(=O)C4=CC5=C(C=C4)N=CN5

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31)OC(=O)C4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C25H21N3O3/c1-16(31-25(30)19-12-13-20-21(14-19)27-15-26-20)24(29)28-22-8-4-2-6-17(22)10-11-18-7-3-5-9-23(18)28/h2-9,12-16H,10-11H2,1H3,(H,26,27)