[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C19H25N3O3/c1-16(23)24-15-19-6-5-18(25-19)14-22-9-3-8-21(10-11-22)13-17-4-2-7-20-12-17/h2,4-7,12H,3,8-11,13-15H2,1H3