1-(oxan-4-ylmethyl)-4-[1-(phenylmethyl)pyrrolidin-3-yl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-(oxan-4-ylmethyl)-4-[1-(phenylmethyl)pyrrolidin-3-yl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(1-benzylpyrrolidin-3-yl)-6-(2-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-4-[1-(phenylmethyl)-3-pyrrolidinyl]-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(1-benzylpyrrolidin-3-yl)-1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(1-benzylpyrrolidin-3-yl)-6-(2-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C28H38N4O3 MolecularWeight: 478.62632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=N4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC1N2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=N4)CC5=CC=CC=C5

InChI

InChI=1S/C28H38N4O3/c33-28-21-31(26-9-13-30(18-26)16-23-6-2-1-3-7-23)19-27(35-22-25-8-4-5-12-29-25)20-32(28)17-24-10-14-34-15-11-24/h1-8,12,24,26-27H,9-11,13-22H2