methyl 5-[[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(1-methyl-2-benzimidazolyl)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CN3CCCN(CC3)CC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CN3CCCN(CC3)CC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C21H26N4O3/c1-23-18-7-4-3-6-17(18)22-20(23)15-25-11-5-10-24(12-13-25)14-16-8-9-19(28-16)21(26)27-2/h3-4,6-9H,5,10-15H2,1-2H3