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

Systemtic Name: N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-(diethylamino)-2-(3-thienyl)ethyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-(diethylamino)-2-(3-thiophenyl)ethyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[2-(diethylamino)-2-(3-thienyl)ethyl]-4-keto-phthalazine-1-carboxamide Formula: C24H32N4O2S MolecularWeight: 440.60148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CSC=C3)N(CC)CC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CSC=C3)N(CC)CC

InChI

InChI=1S/C24H32N4O2S/c1-4-7-10-14-28-24(30)20-12-9-8-11-19(20)22(26-28)23(29)25-16-21(27(5-2)6-3)18-13-15-31-17-18/h8-9,11-13,15,17,21H,4-7,10,14,16H2,1-3H3,(H,25,29)