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

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CSC=C3)N(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CSC=C3)N(C)C

InChI

InChI=1S/C20H24N4O2S/c1-4-10-24-20(26)16-8-6-5-7-15(16)18(22-24)19(25)21-12-17(23(2)3)14-9-11-27-13-14/h5-9,11,13,17H,4,10,12H2,1-3H3,(H,21,25)