N-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(5-acetyl-4-methyl-thiazol-2-yl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(5-acetyl-4-methyl-2-thiazolyl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: N-(5-acetyl-4-methyl-thiazol-2-yl)-3-amyl-4-keto-phthalazine-1-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=C(S3)C(=O)C)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=C(S3)C(=O)C)C

InChI

InChI=1S/C20H22N4O3S/c1-4-5-8-11-24-19(27)15-10-7-6-9-14(15)16(23-24)18(26)22-20-21-12(2)17(28-20)13(3)25/h6-7,9-10H,4-5,8,11H2,1-3H3,(H,21,22,26)