tert-butyl 6-(1H-benzimidazol-2-ylmethyl)-10-bromanyl-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate

Systemtic Name: tert-butyl 6-(1H-benzimidazol-2-ylmethyl)-10-bromanyl-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Openeye Name: tert-butyl 6-(1H-benzimidazol-2-ylmethyl)-10-bromo-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate CAS Name: 6-(1H-benzimidazol-2-ylmethyl)-10-bromo-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(1H-benzimidazol-2-ylmethyl)-10-bromo-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Traditional Name: 6-(1H-benzimidazol-2-ylmethyl)-10-bromo-1,2,4,5-tetrahydroazepin[4,5-b]indole-3-carboxylic acid tert-butyl ester Formula: C25H27BrN4O2 MolecularWeight: 495.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(CC1)N(C3=C2C(=CC=C3)Br)CC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC1)N(C3=C2C(=CC=C3)Br)CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H27BrN4O2/c1-25(2,3)32-24(31)29-13-11-16-20(12-14-29)30(21-10-6-7-17(26)23(16)21)15-22-27-18-8-4-5-9-19(18)28-22/h4-10H,11-15H2,1-3H3,(H,27,28)