5-[4,7-bis(7-chloranylquinolin-4-yl)-1,4,7-triazonan-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4,7-bis(7-chloranylquinolin-4-yl)-1,4,7-triazonan-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4,7-bis(7-chloro-4-quinolinyl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid IUPAC Name: 5-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid Traditional Name: 5-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]-5-keto-valeric acid Formula: C29H29Cl2N5O3 MolecularWeight: 566.47826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29Cl2N5O3/c30-20-4-6-22-24(18-20)32-10-8-26(22)34-12-13-35(27-9-11-33-25-19-21(31)5-7-23(25)27)15-17-36(16-14-34)28(37)2-1-3-29(38)39/h4-11,18-19H,1-3,12-17H2,(H,38,39)