4-(1-methylazepan-2-yl)carbonyl-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(1-methylazepan-2-yl)carbonyl-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(1-methylazepane-2-carbonyl)-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(1-methyl-2-azepanyl)-oxomethyl]-1-(4-oxanylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(1-methylazepane-2-carbonyl)-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(1-methylazepane-2-carbonyl)-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C25H38N4O4 MolecularWeight: 458.59362

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCCC1C(=O)N2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=NC=C4

Isomeric SMILES

CN1CCCCCC1C(=O)N2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=NC=C4

InChI

InChI=1S/C25H38N4O4/c1-27-12-4-2-3-5-23(27)25(31)29-17-22(33-19-21-6-10-26-11-7-21)16-28(24(30)18-29)15-20-8-13-32-14-9-20/h6-7,10-11,20,22-23H,2-5,8-9,12-19H2,1H3