N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide

Systemtic Name: N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanamide Openeye Name: N-[4-(4-butylphenyl)thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: N-[4-(4-butylphenyl)-2-thiazolyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide IUPAC Name: N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide Traditional Name: N-[4-(4-butylphenyl)thiazol-2-yl]-2-(4-keto-3H-phthalazin-1-yl)acetamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H22N4O2S/c1-2-3-6-15-9-11-16(12-10-15)20-14-30-23(24-20)25-21(28)13-19-17-7-4-5-8-18(17)22(29)27-26-19/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,27,29)(H,24,25,28)