N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-4-keto-phthalazine-1-carboxamide Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O4S/c1-4-5-8-13-29-24(31)18-10-7-6-9-17(18)22(28-29)23(30)27-25-26-20(15-34-25)19-14-16(32-2)11-12-21(19)33-3/h6-7,9-12,14-15H,4-5,8,13H2,1-3H3,(H,26,27,30)