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

Systemtic Name: N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[2-(diethylamino)-2-(3-thienyl)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(diethylamino)-2-(3-thiophenyl)ethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[2-(diethylamino)-2-(3-thienyl)ethyl]-4-keto-phthalazine-1-carboxamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

CCN(CC)C(CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)C4=CSC=C4

InChI

InChI=1S/C26H28N4O2S/c1-3-29(4-2)23(20-14-15-33-18-20)16-27-25(31)24-21-12-8-9-13-22(21)26(32)30(28-24)17-19-10-6-5-7-11-19/h5-15,18,23H,3-4,16-17H2,1-2H3,(H,27,31)