methyl 2-ethyl-3-[(11-methanoyl-5,6-dihydrobenzo[b][1]benzazepin-3-yl)methyl]benzimidazole-4-carboxylate

Systemtic Name: methyl 2-ethyl-3-[(11-methanoyl-5,6-dihydrobenzo[b][1]benzazepin-3-yl)methyl]benzimidazole-4-carboxylate Openeye Name: methyl 2-ethyl-3-[(11-formyl-5,6-dihydrobenzo[b][1]benzazepin-3-yl)methyl]benzimidazole-4-carboxylate CAS Name: 2-ethyl-3-[(11-formyl-5,6-dihydrobenzo[b][1]benzazepin-3-yl)methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-3-[(11-formyl-5,6-dihydrobenzo[b][1]benzazepin-3-yl)methyl]benzimidazole-4-carboxylate Traditional Name: 2-ethyl-3-[(11-formyl-5,6-dihydrobenzo[b][1]benzazepin-3-yl)methyl]benzimidazole-4-carboxylic acid methyl ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC(=C2N1CC3=CC4=C(C=C3)N(C5=CC=CC=C5CC4)C=O)C(=O)OC

Isomeric SMILES

CCC1=NC2=CC=CC(=C2N1CC3=CC4=C(C=C3)N(C5=CC=CC=C5CC4)C=O)C(=O)OC

InChI

InChI=1S/C27H25N3O3/c1-3-25-28-22-9-6-8-21(27(32)33-2)26(22)29(25)16-18-11-14-24-20(15-18)13-12-19-7-4-5-10-23(19)30(24)17-31/h4-11,14-15,17H,3,12-13,16H2,1-2H3