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

Systemtic Name: 4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-isobutyl-4-[(8-methoxy-2-quinolyl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(8-methoxy-2-quinolinyl)methyl]-1-(2-methylpropyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-isobutyl-4-[(8-methoxy-2-quinolyl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)CC2=NC3=C(C=CC=C3OC)C=C2)OCC4=CN=CC=C4

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)CC2=NC3=C(C=CC=C3OC)C=C2)OCC4=CN=CC=C4

InChI

InChI=1S/C26H32N4O3/c1-19(2)13-30-16-23(33-18-20-6-5-11-27-12-20)15-29(17-25(30)31)14-22-10-9-21-7-4-8-24(32-3)26(21)28-22/h4-12,19,23H,13-18H2,1-3H3