4-[(4-hydroxyphenyl)methyl]-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-[(4-hydroxyphenyl)methyl]-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[(4-hydroxyphenyl)methyl]-1-isobutyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(4-hydroxyphenyl)methyl]-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[(4-hydroxyphenyl)methyl]-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(4-hydroxybenzyl)-1-isobutyl-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)CC2=CC=C(C=C2)O)OCC3=CC=NC=C3

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)CC2=CC=C(C=C2)O)OCC3=CC=NC=C3

InChI

InChI=1S/C22H29N3O3/c1-17(2)11-25-14-21(28-16-19-7-9-23-10-8-19)13-24(15-22(25)27)12-18-3-5-20(26)6-4-18/h3-10,17,21,26H,11-16H2,1-2H3