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

Systemtic Name: 1-[4,7-bis(7-chloranylquinolin-4-yl)-1,4,7-triazonan-1-yl]-3-piperidin-1-yl-propan-1-one Openeye Name: 1-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]-3-(1-piperidyl)propan-1-one CAS Name: 1-[4,7-bis(7-chloro-4-quinolinyl)-1,4,7-triazonan-1-yl]-3-(1-piperidinyl)-1-propanone IUPAC Name: 1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-3-piperidin-1-ylpropan-1-one Traditional Name: 1-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]-3-piperidino-propan-1-one Formula: C32H36Cl2N6O MolecularWeight: 591.57384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC(=O)N2CCN(CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C5=C6C=CC(=CC6=NC=C5)Cl

Isomeric SMILES

C1CCN(CC1)CCC(=O)N2CCN(CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C5=C6C=CC(=CC6=NC=C5)Cl

InChI

InChI=1S/C32H36Cl2N6O/c33-24-4-6-26-28(22-24)35-11-8-30(26)38-16-17-39(31-9-12-36-29-23-25(34)5-7-27(29)31)19-21-40(20-18-38)32(41)10-15-37-13-2-1-3-14-37/h4-9,11-12,22-23H,1-3,10,13-21H2