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

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-keto-phthalazine-1-carboxamide Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CN(C)C(CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C24H24N4O2S/c1-27(2)20(21-13-8-14-31-21)15-25-23(29)22-18-11-6-7-12-19(18)24(30)28(26-22)16-17-9-4-3-5-10-17/h3-14,20H,15-16H2,1-2H3,(H,25,29)