4-(4-ethenylphenyl)carbonyl-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(4-ethenylphenyl)carbonyl-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-4-(4-vinylbenzoyl)-1,4-diazepan-2-one CAS Name: 4-[(4-ethenylphenyl)-oxomethyl]-1-(4-oxanylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(4-ethenylbenzoyl)-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-4-(4-vinylbenzoyl)-1,4-diazepan-2-one Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)C(=O)N2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CN=CC=C4

Isomeric SMILES

C=CC1=CC=C(C=C1)C(=O)N2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CN=CC=C4

InChI

InChI=1S/C26H31N3O4/c1-2-20-5-7-23(8-6-20)26(31)29-17-24(33-19-22-4-3-11-27-14-22)16-28(25(30)18-29)15-21-9-12-32-13-10-21/h2-8,11,14,21,24H,1,9-10,12-13,15-19H2