N-[2-(4-chlorophenyl)ethyl]-2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-2-[1-oxo-4-(2-thienyl)phthalazin-2-yl]acetamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-2-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)acetamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-2-[1-keto-4-(2-thienyl)phthalazin-2-yl]acetamide Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCCC3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCCC3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C22H18ClN3O2S/c23-16-9-7-15(8-10-16)11-12-24-20(27)14-26-22(28)18-5-2-1-4-17(18)21(25-26)19-6-3-13-29-19/h1-10,13H,11-12,14H2,(H,24,27)