4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-[(1-methyl-4-pyrazolyl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(coumaran-5-ylmethyl)-1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C25H29N5O3 MolecularWeight: 447.52946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC(CN(CC2=O)CC3=CC4=C(C=C3)OCC4)OCC5=CN=CC=C5

Isomeric SMILES

CN1C=C(C=N1)CN2CC(CN(CC2=O)CC3=CC4=C(C=C3)OCC4)OCC5=CN=CC=C5

InChI

InChI=1S/C25H29N5O3/c1-28-12-21(11-27-28)14-30-16-23(33-18-20-3-2-7-26-10-20)15-29(17-25(30)31)13-19-4-5-24-22(9-19)6-8-32-24/h2-5,7,9-12,23H,6,8,13-18H2,1H3