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

Systemtic Name: 4-but-2-ynoyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-but-2-ynoyl-1-[(2-methylthiazol-4-yl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-[(2-methyl-4-thiazolyl)methyl]-4-(1-oxobut-2-ynyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-but-2-ynoyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-but-2-ynoyl-1-[(2-methylthiazol-4-yl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CC(CN(C(=O)C1)CC2=CSC(=N2)C)OCC3=CC=NC=C3

Isomeric SMILES

CC#CC(=O)N1CC(CN(C(=O)C1)CC2=CSC(=N2)C)OCC3=CC=NC=C3

InChI

InChI=1S/C20H22N4O3S/c1-3-4-19(25)24-11-18(27-13-16-5-7-21-8-6-16)10-23(20(26)12-24)9-17-14-28-15(2)22-17/h5-8,14,18H,9-13H2,1-2H3