ethyl 4-[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate

Systemtic Name: ethyl 4-[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Openeye Name: ethyl 4-[1-[(5-ethoxycarbonyl-2-furyl)methyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate CAS Name: 4-[1-[(5-ethoxycarbonyl-2-furanyl)methyl]-2-benzimidazolyl]-1,4-diazepane-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[1-[(5-carbethoxy-2-furyl)methyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid ethyl ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)CN2C3=CC=CC=C3N=C2N4CCCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)CN2C3=CC=CC=C3N=C2N4CCCN(CC4)C(=O)OCC

InChI

InChI=1S/C23H28N4O5/c1-3-30-21(28)20-11-10-17(32-20)16-27-19-9-6-5-8-18(19)24-22(27)25-12-7-13-26(15-14-25)23(29)31-4-2/h5-6,8-11H,3-4,7,12-16H2,1-2H3