methyl 5-[[4-[3-(1H-benzimidazol-2-yl)propanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[3-(1H-benzimidazol-2-yl)propanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[3-(1H-benzimidazol-2-yl)propanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[3-(1H-benzimidazol-2-yl)-1-oxopropyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[3-(1H-benzimidazol-2-yl)propanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[3-(1H-benzimidazol-2-yl)propanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CCC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H26N4O4/c1-29-22(28)19-8-7-16(30-19)15-25-11-4-12-26(14-13-25)21(27)10-9-20-23-17-5-2-3-6-18(17)24-20/h2-3,5-8H,4,9-15H2,1H3,(H,23,24)