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

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[2-oxidanylidene-1-(pyridin-3-ylmethyl)azepan-3-yl]piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[2-oxo-1-(3-pyridylmethyl)azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[2-oxo-1-(3-pyridinylmethyl)-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[2-oxo-1-(pyridin-3-ylmethyl)azepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[2-keto-1-(3-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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClN7O2/c27-19-6-7-20-22(14-19)30-24(28)15-23(20)32-10-12-33(13-11-32)26(36)31-21-5-1-2-9-34(25(21)35)17-18-4-3-8-29-16-18/h3-4,6-8,14-16,21H,1-2,5,9-13,17H2,(H2,28,30)(H,31,36)