[5-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC=C(O3)COC(=O)C

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC=C(O3)COC(=O)C

InChI

InChI=1S/C20H27N3O3/c1-16-5-3-6-18(21-16)13-22-9-4-10-23(12-11-22)14-19-7-8-20(26-19)15-25-17(2)24/h3,5-8H,4,9-15H2,1-2H3