4-(7-chloranylquinolin-4-yl)-N-[2-oxidanylidene-1-(pyridin-3-ylmethyl)azepan-3-yl]piperazine-1-carboxamide

Systemtic Name: 4-(7-chloranylquinolin-4-yl)-N-[2-oxidanylidene-1-(pyridin-3-ylmethyl)azepan-3-yl]piperazine-1-carboxamide Openeye Name: 4-(7-chloro-4-quinolyl)-N-[2-oxo-1-(3-pyridylmethyl)azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(7-chloro-4-quinolinyl)-N-[2-oxo-1-(3-pyridinylmethyl)-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(7-chloroquinolin-4-yl)-N-[2-oxo-1-(pyridin-3-ylmethyl)azepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(7-chloro-4-quinolyl)-N-[2-keto-1-(3-pyridylmethyl)azepan-3-yl]piperazine-1-carboxamide Formula: C26H29ClN6O2 MolecularWeight: 493.00046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)CC5=CN=CC=C5

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)CC5=CN=CC=C5

InChI

InChI=1S/C26H29ClN6O2/c27-20-6-7-21-23(16-20)29-10-8-24(21)31-12-14-32(15-13-31)26(35)30-22-5-1-2-11-33(25(22)34)18-19-4-3-9-28-17-19/h3-4,6-10,16-17,22H,1-2,5,11-15,18H2,(H,30,35)