methyl 6-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]pyridine-3-carboxylate Openeye Name: methyl 6-[4-(2-furylmethyl)-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(furan-2-ylmethyl)-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[4-(2-furfuryl)-1,4-diazepane-1-carbonyl]nicotinic acid methyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C18H21N3O4/c1-24-18(23)14-5-6-16(19-12-14)17(22)21-8-3-7-20(9-10-21)13-15-4-2-11-25-15/h2,4-6,11-12H,3,7-10,13H2,1H3