methyl 5-[[4-[2-(4-methylphenoxy)pyridin-3-yl]carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-(4-methylphenoxy)pyridin-3-yl]carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-(4-methylphenoxy)pyridine-3-carbonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[2-(4-methylphenoxy)-3-pyridinyl]-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(4-methylphenoxy)pyridine-3-carbonyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-(4-methylphenoxy)nicotinoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)N3CCCN(CC3)CC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)N3CCCN(CC3)CC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C25H27N3O5/c1-18-6-8-19(9-7-18)33-23-21(5-3-12-26-23)24(29)28-14-4-13-27(15-16-28)17-20-10-11-22(32-20)25(30)31-2/h3,5-12H,4,13-17H2,1-2H3