N-[[4-(2-methylpropyl)phenyl]-thiophen-2-yl-methyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide

Systemtic Name: N-[[4-(2-methylpropyl)phenyl]-thiophen-2-yl-methyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide Openeye Name: N-[(4-isobutylphenyl)-(2-thienyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide CAS Name: N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]-2-(1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]-2-(1-oxophthalazin-2-yl)acetamide Traditional Name: N-[(4-isobutylphenyl)-(2-thienyl)methyl]-2-(1-ketophthalazin-2-yl)acetamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C25H25N3O2S/c1-17(2)14-18-9-11-19(12-10-18)24(22-8-5-13-31-22)27-23(29)16-28-25(30)21-7-4-3-6-20(21)15-26-28/h3-13,15,17,24H,14,16H2,1-2H3,(H,27,29)