3-ethyl-N-[(5-methylthiophen-2-yl)methyl]-4-oxidanylidene-N-phenethyl-phthalazine-1-carboxamide

Systemtic Name: 3-ethyl-N-[(5-methylthiophen-2-yl)methyl]-4-oxidanylidene-N-phenethyl-phthalazine-1-carboxamide Openeye Name: 3-ethyl-N-[(5-methyl-2-thienyl)methyl]-4-oxo-N-phenethyl-phthalazine-1-carboxamide CAS Name: 3-ethyl-N-[(5-methyl-2-thiophenyl)methyl]-4-oxo-N-phenethyl-1-phthalazinecarboxamide IUPAC Name: 3-ethyl-N-[(5-methylthiophen-2-yl)methyl]-4-oxo-N-phenethylphthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-[(5-methyl-2-thienyl)methyl]-N-phenethyl-phthalazine-1-carboxamide Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CCC3=CC=CC=C3)CC4=CC=C(S4)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CCC3=CC=CC=C3)CC4=CC=C(S4)C

InChI

InChI=1S/C25H25N3O2S/c1-3-28-24(29)22-12-8-7-11-21(22)23(26-28)25(30)27(17-20-14-13-18(2)31-20)16-15-19-9-5-4-6-10-19/h4-14H,3,15-17H2,1-2H3