2-(prop-2-ynylamino)ethyl 4-[(8-oxidanylquinolin-5-yl)methyl]piperazine-1-carboxylate

Systemtic Name: 2-(prop-2-ynylamino)ethyl 4-[(8-oxidanylquinolin-5-yl)methyl]piperazine-1-carboxylate Openeye Name: 2-(prop-2-ynylamino)ethyl 4-[(8-hydroxy-5-quinolyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(8-hydroxy-5-quinolinyl)methyl]-1-piperazinecarboxylic acid 2-(prop-2-ynylamino)ethyl ester IUPAC Name: 2-(prop-2-ynylamino)ethyl 4-[(8-hydroxyquinolin-5-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(8-hydroxy-5-quinolyl)methyl]piperazine-1-carboxylic acid 2-(propargylamino)ethyl ester Formula: C20H24N4O3 MolecularWeight: 368.42956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNCCOC(=O)N1CCN(CC1)CC2=C3C=CC=NC3=C(C=C2)O

Isomeric SMILES

C#CCNCCOC(=O)N1CCN(CC1)CC2=C3C=CC=NC3=C(C=C2)O

InChI

InChI=1S/C20H24N4O3/c1-2-7-21-9-14-27-20(26)24-12-10-23(11-13-24)15-16-5-6-18(25)19-17(16)4-3-8-22-19/h1,3-6,8,21,25H,7,9-15H2