4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(1-cyano-2-oxidanylidene-azepan-3-yl)piperazine-1-carboxamide

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(1-cyano-2-oxidanylidene-azepan-3-yl)piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(1-cyano-2-oxo-azepan-3-yl)piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-(1-cyano-2-oxo-3-azepanyl)-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-(1-cyano-2-oxoazepan-3-yl)piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(1-cyano-2-keto-azepan-3-yl)piperazine-1-carboxamide Formula: C21H24ClN7O2 MolecularWeight: 441.91396

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN7O2/c22-14-4-5-15-17(11-14)25-19(24)12-18(15)27-7-9-28(10-8-27)21(31)26-16-3-1-2-6-29(13-23)20(16)30/h4-5,11-12,16H,1-3,6-10H2,(H2,24,25)(H,26,31)