methyl 5-[[4-(1H-pyrrol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(1H-pyrrol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(1H-pyrrol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(1H-pyrrol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(1H-pyrrol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(1H-pyrrol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)CC3=CC=CN3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)CC3=CC=CN3

InChI

InChI=1S/C17H23N3O3/c1-22-17(21)16-6-5-15(23-16)13-20-9-3-8-19(10-11-20)12-14-4-2-7-18-14/h2,4-7,18H,3,8-13H2,1H3