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

Systemtic Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[4-(4-acetamidophenyl)-2-thiazolyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-3-amyl-4-keto-phthalazine-1-carboxamide Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O3S/c1-3-4-7-14-30-24(33)20-9-6-5-8-19(20)22(29-30)23(32)28-25-27-21(15-34-25)17-10-12-18(13-11-17)26-16(2)31/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,26,31)(H,27,28,32)