3-azanyl-1-[4,7-bis(7-chloranylquinolin-4-yl)-1,4,7-triazonan-1-yl]propan-1-one

Systemtic Name: 3-azanyl-1-[4,7-bis(7-chloranylquinolin-4-yl)-1,4,7-triazonan-1-yl]propan-1-one Openeye Name: 3-amino-1-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]propan-1-one CAS Name: 3-amino-1-[4,7-bis(7-chloro-4-quinolinyl)-1,4,7-triazonan-1-yl]-1-propanone IUPAC Name: 3-amino-1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]propan-1-one Traditional Name: 3-amino-1-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]propan-1-one Formula: C27H28Cl2N6O MolecularWeight: 523.45682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28Cl2N6O/c28-19-1-3-21-23(17-19)31-9-6-25(21)33-11-12-34(14-16-35(15-13-33)27(36)5-8-30)26-7-10-32-24-18-20(29)2-4-22(24)26/h1-4,6-7,9-10,17-18H,5,8,11-16,30H2