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

Systemtic Name: 4-(1-benzofuran-2-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(benzofuran-2-ylmethyl)-1-[(2-methylthiazol-4-yl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-(2-benzofuranylmethyl)-1-[(2-methyl-4-thiazolyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(1-benzofuran-2-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(benzofuran-2-ylmethyl)-1-[(2-methylthiazol-4-yl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C25H26N4O3S MolecularWeight: 462.56394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CC(CN(CC2=O)CC3=CC4=CC=CC=C4O3)OCC5=CC=NC=C5

Isomeric SMILES

CC1=NC(=CS1)CN2CC(CN(CC2=O)CC3=CC4=CC=CC=C4O3)OCC5=CC=NC=C5

InChI

InChI=1S/C25H26N4O3S/c1-18-27-21(17-33-18)11-29-14-23(31-16-19-6-8-26-9-7-19)13-28(15-25(29)30)12-22-10-20-4-2-3-5-24(20)32-22/h2-10,17,23H,11-16H2,1H3