4-[(8-methoxyquinolin-2-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-[(8-methoxyquinolin-2-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[(8-methoxy-2-quinolyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(8-methoxy-2-quinolinyl)methyl]-1-[(1-methyl-4-pyrazolyl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[(8-methoxyquinolin-2-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[(8-methoxy-2-quinolyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C27H30N6O3 MolecularWeight: 486.5655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC(CN(CC2=O)CC3=NC4=C(C=CC=C4OC)C=C3)OCC5=CN=CC=C5

Isomeric SMILES

CN1C=C(C=N1)CN2CC(CN(CC2=O)CC3=NC4=C(C=CC=C4OC)C=C3)OCC5=CN=CC=C5

InChI

InChI=1S/C27H30N6O3/c1-31-13-21(12-29-31)14-33-17-24(36-19-20-5-4-10-28-11-20)16-32(18-26(33)34)15-23-9-8-22-6-3-7-25(35-2)27(22)30-23/h3-13,24H,14-19H2,1-2H3