3-methyl-4-oxidanylidene-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[2-pyrrolidino-2-(2-thienyl)ethyl]phthalazine-1-carboxamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CS3)N4CCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CS3)N4CCCC4

InChI

InChI=1S/C20H22N4O2S/c1-23-20(26)15-8-3-2-7-14(15)18(22-23)19(25)21-13-16(17-9-6-12-27-17)24-10-4-5-11-24/h2-3,6-9,12,16H,4-5,10-11,13H2,1H3,(H,21,25)