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

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[2-oxidanylidene-1-(pyridin-4-ylmethyl)azepan-3-yl]piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[2-oxo-1-(4-pyridylmethyl)azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[2-oxo-1-(pyridin-4-ylmethyl)-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[2-oxo-1-(pyridin-4-ylmethyl)azepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[2-keto-1-(4-pyridylmethyl)azepan-3-yl]piperazine-1-carboxamide Formula: C26H30ClN7O2 MolecularWeight: 508.0151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)CC5=CC=NC=C5

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)CC5=CC=NC=C5

InChI

InChI=1S/C26H30ClN7O2/c27-19-4-5-20-22(15-19)30-24(28)16-23(20)32-11-13-33(14-12-32)26(36)31-21-3-1-2-10-34(25(21)35)17-18-6-8-29-9-7-18/h4-9,15-16,21H,1-3,10-14,17H2,(H2,28,30)(H,31,36)