1-[(3-phenylmethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepan-5-one

Systemtic Name: 1-[(3-phenylmethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepan-5-one Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-4-(2-pyridylmethyl)-1,4-diazepan-5-one CAS Name: 1-[(3-phenylmethoxyphenyl)methyl]-4-(2-pyridinylmethyl)-1,4-diazepan-5-one IUPAC Name: 1-[(3-phenylmethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepan-5-one Traditional Name: 1-(3-benzoxybenzyl)-4-(2-pyridylmethyl)-1,4-diazepan-5-one Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC=CC=N2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC=CC=N2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2/c29-25-12-14-27(15-16-28(25)19-23-10-4-5-13-26-23)18-22-9-6-11-24(17-22)30-20-21-7-2-1-3-8-21/h1-11,13,17H,12,14-16,18-20H2