1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-N'-quinolin-2-yl-pyrrolidine-2-carbohydrazide

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-N'-quinolin-2-yl-pyrrolidine-2-carbohydrazide Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-N'-(2-quinolyl)pyrrolidine-2-carbohydrazide CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-N'-(2-quinolinyl)-2-pyrrolidinecarbohydrazide IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-N'-quinolin-2-ylpyrrolidine-2-carbohydrazide Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-N'-(2-quinolyl)pyrrolidine-2-carbohydrazide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)NNC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)NNC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H26N4O3/c1-4-21(2,3)18(26)20(28)25-13-7-10-16(25)19(27)24-23-17-12-11-14-8-5-6-9-15(14)22-17/h5-6,8-9,11-12,16H,4,7,10,13H2,1-3H3,(H,22,23)(H,24,27)