4-(7-chloranylquinolin-4-yl)-N-(1-methyl-2-oxidanylidene-azepan-3-yl)piperazine-1-carboxamide

Systemtic Name: 4-(7-chloranylquinolin-4-yl)-N-(1-methyl-2-oxidanylidene-azepan-3-yl)piperazine-1-carboxamide Openeye Name: 4-(7-chloro-4-quinolyl)-N-(1-methyl-2-oxo-azepan-3-yl)piperazine-1-carboxamide CAS Name: 4-(7-chloro-4-quinolinyl)-N-(1-methyl-2-oxo-3-azepanyl)-1-piperazinecarboxamide IUPAC Name: 4-(7-chloroquinolin-4-yl)-N-(1-methyl-2-oxoazepan-3-yl)piperazine-1-carboxamide Traditional Name: 4-(7-chloro-4-quinolyl)-N-(2-keto-1-methyl-azepan-3-yl)piperazine-1-carboxamide Formula: C21H26ClN5O2 MolecularWeight: 415.91644

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC(C1=O)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

CN1CCCCC(C1=O)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C21H26ClN5O2/c1-25-9-3-2-4-17(20(25)28)24-21(29)27-12-10-26(11-13-27)19-7-8-23-18-14-15(22)5-6-16(18)19/h5-8,14,17H,2-4,9-13H2,1H3,(H,24,29)