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

Systemtic Name: 3-ethyl-4-oxidanylidene-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl]phthalazine-1-carboxamide Openeye Name: 3-ethyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]phthalazine-1-carboxamide CAS Name: 3-ethyl-4-oxo-N-[(2R)-2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]-1-phthalazinecarboxamide IUPAC Name: 3-ethyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]phthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-[(2R)-2-pyrrolidino-2-(2-thienyl)ethyl]phthalazine-1-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CS3)N4CCCC4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H](C3=CC=CS3)N4CCCC4

InChI

InChI=1S/C21H24N4O2S/c1-2-25-21(27)16-9-4-3-8-15(16)19(23-25)20(26)22-14-17(18-10-7-13-28-18)24-11-5-6-12-24/h3-4,7-10,13,17H,2,5-6,11-12,14H2,1H3,(H,22,26)/t17-/m1/s1