1-(oxan-4-ylmethyl)-4-[(2-prop-2-enoxyphenyl)methyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-(oxan-4-ylmethyl)-4-[(2-prop-2-enoxyphenyl)methyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[(2-allyloxyphenyl)methyl]-6-(2-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-4-[(2-prop-2-enoxyphenyl)methyl]-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-4-[(2-prop-2-enoxyphenyl)methyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(2-allyloxybenzyl)-6-(2-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1CN2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=N4

Isomeric SMILES

C=CCOC1=CC=CC=C1CN2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=CC=N4

InChI

InChI=1S/C27H35N3O4/c1-2-13-33-26-9-4-3-7-23(26)17-29-18-25(34-21-24-8-5-6-12-28-24)19-30(27(31)20-29)16-22-10-14-32-15-11-22/h2-9,12,22,25H,1,10-11,13-21H2