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

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

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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=CC=N5

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)CC5=CC=CC=N5

InChI

InChI=1S/C26H30ClN7O2/c27-18-7-8-20-22(15-18)30-24(28)16-23(20)32-11-13-33(14-12-32)26(36)31-21-6-2-4-10-34(25(21)35)17-19-5-1-3-9-29-19/h1,3,5,7-9,15-16,21H,2,4,6,10-14,17H2,(H2,28,30)(H,31,36)