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

Systemtic Name: 4-[(8-methoxyquinolin-2-yl)methyl]-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-benzyl-4-[(8-methoxy-2-quinolyl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(8-methoxy-2-quinolinyl)methyl]-1-(phenylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-4-[(8-methoxyquinolin-2-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-[(8-methoxy-2-quinolyl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N=C(C=C2)CN3CC(CN(C(=O)C3)CC4=CC=CC=C4)OCC5=CN=CC=C5

Isomeric SMILES

COC1=CC=CC2=C1N=C(C=C2)CN3CC(CN(C(=O)C3)CC4=CC=CC=C4)OCC5=CN=CC=C5

InChI

InChI=1S/C29H30N4O3/c1-35-27-11-5-10-24-12-13-25(31-29(24)27)17-32-18-26(36-21-23-9-6-14-30-15-23)19-33(28(34)20-32)16-22-7-3-2-4-8-22/h2-15,26H,16-21H2,1H3