pyridin-3-yl-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: pyridin-3-yl-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: 3-pyridyl-[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone CAS Name: 3-pyridinyl-[4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: pyridin-3-yl-[4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: 3-pyridyl-[4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone Formula: C25H24N4O2 MolecularWeight: 412.48366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN=CC=C2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN=CC=C2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5

InChI

InChI=1S/C25H24N4O2/c30-25(21-5-2-9-27-17-21)29-11-3-10-28(12-13-29)18-23-15-22-14-19(6-7-24(22)31-23)20-4-1-8-26-16-20/h1-2,4-9,14-17H,3,10-13,18H2