N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

CN(C)C(CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)C4=CSC=C4

InChI

InChI=1S/C23H22N4O2S/c1-26(2)20(16-12-13-30-15-16)14-24-22(28)21-18-10-6-7-11-19(18)23(29)27(25-21)17-8-4-3-5-9-17/h3-13,15,20H,14H2,1-2H3,(H,24,28)