4-[4,7-bis(7-chloranylquinolin-4-yl)-1,4,7-triazonan-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4,7-bis(7-chloranylquinolin-4-yl)-1,4,7-triazonan-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4,7-bis(7-chloro-4-quinolinyl)-1,4,7-triazonan-1-yl]-4-oxobutanoic acid IUPAC Name: 4-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]-4-keto-butyric acid Formula: C28H27Cl2N5O3 MolecularWeight: 552.45168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)CCC(=O)O)C4=C5C=CC(=CC5=NC=C4)Cl

Isomeric SMILES

C1CN(CCN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)CCC(=O)O)C4=C5C=CC(=CC5=NC=C4)Cl

InChI

InChI=1S/C28H27Cl2N5O3/c29-19-1-3-21-23(17-19)31-9-7-25(21)33-11-12-34(14-16-35(15-13-33)27(36)5-6-28(37)38)26-8-10-32-24-18-20(30)2-4-22(24)26/h1-4,7-10,17-18H,5-6,11-16H2,(H,37,38)