1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-(3-pyridylmethyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-6-phenylmethoxy-4-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-6-phenylmethoxy-4-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-(3-pyridylmethyl)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)CC3=CN=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)CC3=CN=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3/c28-24-18-26(14-22-7-4-10-25-13-22)16-23(30-19-21-5-2-1-3-6-21)17-27(24)15-20-8-11-29-12-9-20/h1-7,10,13,20,23H,8-9,11-12,14-19H2