2,6-bis(chloranyl)-N-[3-(3-methyl-3-oxidanyl-but-1-ynyl)quinolin-8-yl]benzamide

Systemtic Name: 2,6-bis(chloranyl)-N-[3-(3-methyl-3-oxidanyl-but-1-ynyl)quinolin-8-yl]benzamide Openeye Name: 2,6-dichloro-N-[3-(3-hydroxy-3-methyl-but-1-ynyl)-8-quinolyl]benzamide CAS Name: 2,6-dichloro-N-[3-(3-hydroxy-3-methylbut-1-ynyl)-8-quinolinyl]benzamide IUPAC Name: 2,6-dichloro-N-[3-(3-hydroxy-3-methylbut-1-ynyl)quinolin-8-yl]benzamide Traditional Name: 2,6-dichloro-N-[3-(3-hydroxy-3-methyl-but-1-ynyl)-8-quinolyl]benzamide Formula: C21H16Cl2N2O2 MolecularWeight: 399.26994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC2=C(C(=CC=C2)NC(=O)C3=C(C=CC=C3Cl)Cl)N=C1)O

Isomeric SMILES

CC(C)(C#CC1=CC2=C(C(=CC=C2)NC(=O)C3=C(C=CC=C3Cl)Cl)N=C1)O

InChI

InChI=1S/C21H16Cl2N2O2/c1-21(2,27)10-9-13-11-14-5-3-8-17(19(14)24-12-13)25-20(26)18-15(22)6-4-7-16(18)23/h3-8,11-12,27H,1-2H3,(H,25,26)