N-methyl-5-oxidanylidene-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]-5-thiophen-2-yl-pentanamide

Systemtic Name: N-methyl-5-oxidanylidene-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]-5-thiophen-2-yl-pentanamide Openeye Name: N-methyl-5-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-5-(2-thienyl)pentanamide CAS Name: N-methyl-5-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-5-thiophen-2-ylpentanamide IUPAC Name: N-methyl-5-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-5-thiophen-2-ylpentanamide Traditional Name: 5-keto-N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-N-methyl-5-(2-thienyl)valeramide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC1=NNC(=O)C2=CC=CC=C21)C(=O)CCCC(=O)C3=CC=CS3

Isomeric SMILES

CN(CCCNC1=NNC(=O)C2=CC=CC=C21)C(=O)CCCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H24N4O3S/c1-25(19(27)11-4-9-17(26)18-10-5-14-29-18)13-6-12-22-20-15-7-2-3-8-16(15)21(28)24-23-20/h2-3,5,7-8,10,14H,4,6,9,11-13H2,1H3,(H,22,23)(H,24,28)