2-chloranyl-1-[2,5-dimethyl-1-(2-methylbutan-2-yl)pyrrol-3-yl]propan-1-one

Systemtic Name: 2-chloranyl-1-[2,5-dimethyl-1-(2-methylbutan-2-yl)pyrrol-3-yl]propan-1-one Openeye Name: 2-chloro-1-[1-(1,1-dimethylpropyl)-2,5-dimethyl-pyrrol-3-yl]propan-1-one CAS Name: 2-chloro-1-[2,5-dimethyl-1-(2-methylbutan-2-yl)-3-pyrrolyl]-1-propanone IUPAC Name: 2-chloro-1-[2,5-dimethyl-1-(2-methylbutan-2-yl)pyrrol-3-yl]propan-1-one Traditional Name: 1-(1-tert-amyl-2,5-dimethyl-pyrrol-3-yl)-2-chloro-propan-1-one Formula: C14H22ClNO MolecularWeight: 255.78358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N1C(=CC(=C1C)C(=O)C(C)Cl)C

Isomeric SMILES

CCC(C)(C)N1C(=CC(=C1C)C(=O)C(C)Cl)C

InChI

InChI=1S/C14H22ClNO/c1-7-14(5,6)16-9(2)8-12(11(16)4)13(17)10(3)15/h8,10H,7H2,1-6H3