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

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

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC3C4=CC=CS4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC[C@@H]3C4=CC=CS4

InChI

InChI=1S/C21H23N3O2S/c1-14(2)13-24-20(25)16-8-4-3-7-15(16)19(22-24)21(26)23-11-5-9-17(23)18-10-6-12-27-18/h3-4,6-8,10,12,14,17H,5,9,11,13H2,1-2H3/t17-/m1/s1