1-(oxan-4-ylmethyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-(oxan-4-ylmethyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[(4-phenylthiazol-2-yl)methyl]-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-4-[(4-phenyl-2-thiazolyl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[(4-phenylthiazol-2-yl)methyl]-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)CC3=NC(=CS3)C4=CC=CC=C4)OCC5=CN=CC=C5

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)CC3=NC(=CS3)C4=CC=CC=C4)OCC5=CN=CC=C5

InChI

InChI=1S/C27H32N4O3S/c32-27-18-30(17-26-29-25(20-35-26)23-6-2-1-3-7-23)15-24(34-19-22-5-4-10-28-13-22)16-31(27)14-21-8-11-33-12-9-21/h1-7,10,13,20-21,24H,8-9,11-12,14-19H2