1-(2-methylpropyl)-4-[(3-methylthiophen-2-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-(2-methylpropyl)-4-[(3-methylthiophen-2-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-isobutyl-4-[(3-methyl-2-thienyl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-(2-methylpropyl)-4-[(3-methyl-2-thiophenyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-(2-methylpropyl)-4-[(3-methylthiophen-2-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-isobutyl-4-[(3-methyl-2-thienyl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=NC=C3

Isomeric SMILES

CC1=C(SC=C1)CN2CC(CN(C(=O)C2)CC(C)C)OCC3=CC=NC=C3

InChI

InChI=1S/C21H29N3O2S/c1-16(2)10-24-12-19(26-15-18-4-7-22-8-5-18)11-23(14-21(24)25)13-20-17(3)6-9-27-20/h4-9,16,19H,10-15H2,1-3H3