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

Systemtic Name: 2-azanyl-1-[4,7-bis(7-chloranylquinolin-4-yl)-1,4,7-triazonan-1-yl]propan-1-one Openeye Name: 2-amino-1-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]propan-1-one CAS Name: 2-amino-1-[4,7-bis(7-chloro-4-quinolinyl)-1,4,7-triazonan-1-yl]-1-propanone IUPAC Name: 2-amino-1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]propan-1-one Traditional Name: 2-amino-1-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]propan-1-one Formula: C27H28Cl2N6O MolecularWeight: 523.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CCN(CC1)C2=C3C=CC(=CC3=NC=C2)Cl)C4=C5C=CC(=CC5=NC=C4)Cl)N

Isomeric SMILES

CC(C(=O)N1CCN(CCN(CC1)C2=C3C=CC(=CC3=NC=C2)Cl)C4=C5C=CC(=CC5=NC=C4)Cl)N

InChI

InChI=1S/C27H28Cl2N6O/c1-18(30)27(36)35-14-12-33(25-6-8-31-23-16-19(28)2-4-21(23)25)10-11-34(13-15-35)26-7-9-32-24-17-20(29)3-5-22(24)26/h2-9,16-18H,10-15,30H2,1H3