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

Systemtic Name: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[4-(4-chlorophenyl)thiazol-2-yl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[4-(4-chlorophenyl)-2-thiazolyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[4-(4-chlorophenyl)thiazol-2-yl]-4-keto-phthalazine-1-carboxamide Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN4O2S/c1-2-3-6-13-28-22(30)18-8-5-4-7-17(18)20(27-28)21(29)26-23-25-19(14-31-23)15-9-11-16(24)12-10-15/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,25,26,29)