4-[[5-(hydroxymethyl)furan-2-yl]methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 4-[[5-(hydroxymethyl)furan-2-yl]methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-[[5-(hydroxymethyl)-2-furyl]methyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-[[5-(hydroxymethyl)-2-furanyl]methyl]-6-phenylmethoxy-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-[[5-(hydroxymethyl)furan-2-yl]methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-[(5-methylol-2-furyl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1CC2=CC=C(O2)CO)CC3=CN=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C(CN(C(=O)CN1CC2=CC=C(O2)CO)CC3=CN=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4/c28-17-22-9-8-21(31-22)13-26-14-23(30-18-19-5-2-1-3-6-19)15-27(24(29)16-26)12-20-7-4-10-25-11-20/h1-11,23,28H,12-18H2