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

Systemtic Name: N-[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[(2R)-2-(dimethylamino)-2-(2-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=CC=CS4

Isomeric SMILES

CN(C)[C@H](CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C23H22N4O2S/c1-26(2)19(20-13-8-14-30-20)15-24-22(28)21-17-11-6-7-12-18(17)23(29)27(25-21)16-9-4-3-5-10-16/h3-14,19H,15H2,1-2H3,(H,24,28)/t19-/m1/s1