2-[[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxo-ethoxy]methyl]-1H-quinazolin-4-one CAS Name: 2-[[2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-2-oxoethoxy]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[2-[4-(3-methylbutanoyl)piperazin-1-yl]-2-oxoethoxy]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[2-(4-isovalerylpiperazino)-2-keto-ethoxy]methyl]-1H-quinazolin-4-one Formula: C20H26N4O4 MolecularWeight: 386.44484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)COCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)COCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H26N4O4/c1-14(2)11-18(25)23-7-9-24(10-8-23)19(26)13-28-12-17-21-16-6-4-3-5-15(16)20(27)22-17/h3-6,14H,7-13H2,1-2H3,(H,21,22,27)