N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-2-yl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiazolyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-2-yl]-4-keto-phthalazine-1-carboxamide Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H24N4O4S/c1-2-3-6-11-29-24(31)18-8-5-4-7-17(18)22(28-29)23(30)27-25-26-19(15-34-25)16-9-10-20-21(14-16)33-13-12-32-20/h4-5,7-10,14-15H,2-3,6,11-13H2,1H3,(H,26,27,30)