2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[(4-isobutyrylpiperazino)methyl]-4-(2-thienyl)phthalazin-1-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C21H24N4O2S/c1-15(2)20(26)24-11-9-23(10-12-24)14-25-21(27)17-7-4-3-6-16(17)19(22-25)18-8-5-13-28-18/h3-8,13,15H,9-12,14H2,1-2H3