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

Systemtic Name: 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-4-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 1-[(2-methylthiazol-4-yl)methyl]-6-(4-pyridylmethoxy)-4-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 1-[(2-methyl-4-thiazolyl)methyl]-6-(pyridin-4-ylmethoxy)-4-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-4-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 1-[(2-methylthiazol-4-yl)methyl]-6-(4-pyridylmethoxy)-4-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CC(CN(CC2=O)CC3=CN=CC=C3)OCC4=CC=NC=C4

Isomeric SMILES

CC1=NC(=CS1)CN2CC(CN(CC2=O)CC3=CN=CC=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C22H25N5O2S/c1-17-25-20(16-30-17)11-27-13-21(29-15-18-4-7-23-8-5-18)12-26(14-22(27)28)10-19-3-2-6-24-9-19/h2-9,16,21H,10-15H2,1H3