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

Systemtic Name: 4-[4,7-bis(7-chloranylquinolin-4-yl)-1,4,7-triazonan-1-yl]-4-oxidanylidene-butanamide Openeye Name: 4-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]-4-oxo-butanamide CAS Name: 4-[4,7-bis(7-chloro-4-quinolinyl)-1,4,7-triazonan-1-yl]-4-oxobutanamide IUPAC Name: 4-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-4-oxobutanamide Traditional Name: 4-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]-4-keto-butyramide Formula: C28H28Cl2N6O2 MolecularWeight: 551.46692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28Cl2N6O2/c29-19-1-3-21-23(17-19)32-9-7-25(21)34-11-12-35(14-16-36(15-13-34)28(38)6-5-27(31)37)26-8-10-33-24-18-20(30)2-4-22(24)26/h1-4,7-10,17-18H,5-6,11-16H2,(H2,31,37)