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

Systemtic Name: 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(3-pyrazol-1-ylpropanoyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-[(2-methylthiazol-4-yl)methyl]-4-(3-pyrazol-1-ylpropanoyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-[(2-methyl-4-thiazolyl)methyl]-4-[1-oxo-3-(1-pyrazolyl)propyl]-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(3-pyrazol-1-ylpropanoyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-[(2-methylthiazol-4-yl)methyl]-4-(3-pyrazol-1-ylpropanoyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CC(CN(CC2=O)C(=O)CCN3C=CC=N3)OCC4=CC=CC=N4

Isomeric SMILES

CC1=NC(=CS1)CN2CC(CN(CC2=O)C(=O)CCN3C=CC=N3)OCC4=CC=CC=N4

InChI

InChI=1S/C22H26N6O3S/c1-17-25-19(16-32-17)11-26-12-20(31-15-18-5-2-3-7-23-18)13-27(14-22(26)30)21(29)6-10-28-9-4-8-24-28/h2-5,7-9,16,20H,6,10-15H2,1H3