4-oxidanylidene-3-pentyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-pentyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide Openeye Name: 4-oxo-3-pentyl-N-[4-(2-pyridyl)thiazol-2-yl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-pentyl-N-[4-(2-pyridinyl)-2-thiazolyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-pentyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)phthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[4-(2-pyridyl)thiazol-2-yl]phthalazine-1-carboxamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=CC=N4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=CC=N4

InChI

InChI=1S/C22H21N5O2S/c1-2-3-8-13-27-21(29)16-10-5-4-9-15(16)19(26-27)20(28)25-22-24-18(14-30-22)17-11-6-7-12-23-17/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,24,25,28)