2-butyl-4-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-butyl-4-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-butyl-4-[(2R)-2-(2-thienyl)pyrrolidine-1-carbonyl]phthalazin-1-one CAS Name: 2-butyl-4-[oxo-[(2R)-2-thiophen-2-yl-1-pyrrolidinyl]methyl]-1-phthalazinone IUPAC Name: 2-butyl-4-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phthalazin-1-one Traditional Name: 2-butyl-4-[(2R)-2-(2-thienyl)pyrrolidine-1-carbonyl]phthalazin-1-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC3C4=CC=CS4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC[C@@H]3C4=CC=CS4

InChI

InChI=1S/C21H23N3O2S/c1-2-3-13-24-20(25)16-9-5-4-8-15(16)19(22-24)21(26)23-12-6-10-17(23)18-11-7-14-27-18/h4-5,7-9,11,14,17H,2-3,6,10,12-13H2,1H3/t17-/m1/s1