4-oxidanylidene-3-propyl-N'-(2-pyridin-4-ylquinolin-4-yl)carbonyl-phthalazine-1-carbohydrazide

Systemtic Name: 4-oxidanylidene-3-propyl-N'-(2-pyridin-4-ylquinolin-4-yl)carbonyl-phthalazine-1-carbohydrazide Openeye Name: 4-oxo-3-propyl-N'-[2-(4-pyridyl)quinoline-4-carbonyl]phthalazine-1-carbohydrazide CAS Name: 4-oxo-N'-[oxo-(2-pyridin-4-yl-4-quinolinyl)methyl]-3-propyl-1-phthalazinecarbohydrazide IUPAC Name: 4-oxo-3-propyl-N'-(2-pyridin-4-ylquinoline-4-carbonyl)phthalazine-1-carbohydrazide Traditional Name: 4-keto-3-propyl-N'-[2-(4-pyridyl)quinoline-4-carbonyl]phthalazine-1-carbohydrazide Formula: C27H22N6O3 MolecularWeight: 478.50198

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C27H22N6O3/c1-2-15-33-27(36)20-9-4-3-8-19(20)24(32-33)26(35)31-30-25(34)21-16-23(17-11-13-28-14-12-17)29-22-10-6-5-7-18(21)22/h3-14,16H,2,15H2,1H3,(H,30,34)(H,31,35)