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

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-keto-phthalazine-1-carboxamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CS3)N(C)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CS3)N(C)C

InChI

InChI=1S/C22H28N4O2S/c1-4-5-8-13-26-22(28)17-11-7-6-10-16(17)20(24-26)21(27)23-15-18(25(2)3)19-12-9-14-29-19/h6-7,9-12,14,18H,4-5,8,13,15H2,1-3H3,(H,23,27)