1-[(2S)-2-(benzotriazol-1-ylcarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-pentane-1,2-dione

Systemtic Name: 1-[(2S)-2-(benzotriazol-1-ylcarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-pentane-1,2-dione Openeye Name: 1-[(2S)-2-(benzotriazole-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethyl-pentane-1,2-dione CAS Name: 1-[(2S)-2-[1-benzotriazolyl(oxo)methyl]-1-pyrrolidinyl]-3,3-dimethylpentane-1,2-dione IUPAC Name: 1-[(2S)-2-(benzotriazole-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethylpentane-1,2-dione Traditional Name: 1-[(2S)-2-(benzotriazole-1-carbonyl)pyrrolidino]-3,3-dimethyl-pentane-1,2-dione Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H22N4O3/c1-4-18(2,3)15(23)17(25)21-11-7-10-14(21)16(24)22-13-9-6-5-8-12(13)19-20-22/h5-6,8-9,14H,4,7,10-11H2,1-3H3/t14-/m0/s1