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

Systemtic Name: 4-[(3-methylquinoxalin-2-yl)methyl]-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[(3-methylquinoxalin-2-yl)methyl]-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(3-methyl-2-quinoxalinyl)methyl]-1-(4-oxanylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[(3-methylquinoxalin-2-yl)methyl]-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[(3-methylquinoxalin-2-yl)methyl]-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C27H33N5O3 MolecularWeight: 475.58262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CN3CC(CN(C(=O)C3)CC4CCOCC4)OCC5=CN=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CN3CC(CN(C(=O)C3)CC4CCOCC4)OCC5=CN=CC=C5

InChI

InChI=1S/C27H33N5O3/c1-20-26(30-25-7-3-2-6-24(25)29-20)17-31-15-23(35-19-22-5-4-10-28-13-22)16-32(27(33)18-31)14-21-8-11-34-12-9-21/h2-7,10,13,21,23H,8-9,11-12,14-19H2,1H3