6-[(8-oxidanylquinolin-5-yl)methyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione

Systemtic Name: 6-[(8-oxidanylquinolin-5-yl)methyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione Openeye Name: 6-[(8-hydroxy-5-quinolyl)methyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione CAS Name: 6-[(8-hydroxy-5-quinolinyl)methyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione IUPAC Name: 6-[(8-hydroxyquinolin-5-yl)methyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione Traditional Name: 6-[(8-hydroxy-5-quinolyl)methyl]-1,4,8,11-tetrazacyclotetradecane-5,7-quinone Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNC(=O)C(C(=O)NCCNC1)CC2=C3C=CC=NC3=C(C=C2)O

Isomeric SMILES

C1CNCCNC(=O)C(C(=O)NCCNC1)CC2=C3C=CC=NC3=C(C=C2)O

InChI

InChI=1S/C20H27N5O3/c26-17-5-4-14(15-3-1-8-23-18(15)17)13-16-19(27)24-11-9-21-6-2-7-22-10-12-25-20(16)28/h1,3-5,8,16,21-22,26H,2,6-7,9-13H2,(H,24,27)(H,25,28)