4-[7-chloranyl-2-(methylamino)quinolin-4-yl]-N-(2-oxidanylideneazepan-3-yl)piperazine-1-carboxamide

Systemtic Name: 4-[7-chloranyl-2-(methylamino)quinolin-4-yl]-N-(2-oxidanylideneazepan-3-yl)piperazine-1-carboxamide Openeye Name: 4-[7-chloro-2-(methylamino)-4-quinolyl]-N-(2-oxoazepan-3-yl)piperazine-1-carboxamide CAS Name: 4-[7-chloro-2-(methylamino)-4-quinolinyl]-N-(2-oxo-3-azepanyl)-1-piperazinecarboxamide IUPAC Name: 4-[7-chloro-2-(methylamino)quinolin-4-yl]-N-(2-oxoazepan-3-yl)piperazine-1-carboxamide Traditional Name: 4-[7-chloro-2-(methylamino)-4-quinolyl]-N-(2-ketoazepan-3-yl)piperazine-1-carboxamide Formula: C21H27ClN6O2 MolecularWeight: 430.93108

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)NC4CCCCNC4=O

Isomeric SMILES

CNC1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)NC4CCCCNC4=O

InChI

InChI=1S/C21H27ClN6O2/c1-23-19-13-18(15-6-5-14(22)12-17(15)25-19)27-8-10-28(11-9-27)21(30)26-16-4-2-3-7-24-20(16)29/h5-6,12-13,16H,2-4,7-11H2,1H3,(H,23,25)(H,24,29)(H,26,30)