4-[2-(4-methylphenoxy)ethanoyl]-1-(phenylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-[2-(4-methylphenoxy)ethanoyl]-1-(phenylmethyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-benzyl-4-[2-(4-methylphenoxy)acetyl]-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[2-(4-methylphenoxy)-1-oxoethyl]-1-(phenylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-4-[2-(4-methylphenoxy)acetyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-[2-(4-methylphenoxy)acetyl]-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)N2CC(CN(C(=O)C2)CC3=CC=CC=C3)OCC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)N2CC(CN(C(=O)C2)CC3=CC=CC=C3)OCC4=CC=CC=N4

InChI

InChI=1S/C27H29N3O4/c1-21-10-12-24(13-11-21)34-20-27(32)30-17-25(33-19-23-9-5-6-14-28-23)16-29(26(31)18-30)15-22-7-3-2-4-8-22/h2-14,25H,15-20H2,1H3