4-oxidanylidene-3-pentyl-N'-(3-thiophen-3-ylpropanoyl)phthalazine-1-carbohydrazide

Systemtic Name: 4-oxidanylidene-3-pentyl-N'-(3-thiophen-3-ylpropanoyl)phthalazine-1-carbohydrazide Openeye Name: 4-oxo-3-pentyl-N'-[3-(3-thienyl)propanoyl]phthalazine-1-carbohydrazide CAS Name: 4-oxo-N'-[1-oxo-3-(3-thiophenyl)propyl]-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: 4-oxo-3-pentyl-N'-(3-thiophen-3-ylpropanoyl)phthalazine-1-carbohydrazide Traditional Name: 3-amyl-4-keto-N'-[3-(3-thienyl)propanoyl]phthalazine-1-carbohydrazide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CCC3=CSC=C3

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CCC3=CSC=C3

InChI

InChI=1S/C21H24N4O3S/c1-2-3-6-12-25-21(28)17-8-5-4-7-16(17)19(24-25)20(27)23-22-18(26)10-9-15-11-13-29-14-15/h4-5,7-8,11,13-14H,2-3,6,9-10,12H2,1H3,(H,22,26)(H,23,27)