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

Systemtic Name: 4-(7-chloranylquinolin-4-yl)-N-(1-ethyl-2-oxidanylidene-azepan-3-yl)piperazine-1-carboxamide Openeye Name: 4-(7-chloro-4-quinolyl)-N-(1-ethyl-2-oxo-azepan-3-yl)piperazine-1-carboxamide CAS Name: 4-(7-chloro-4-quinolinyl)-N-(1-ethyl-2-oxo-3-azepanyl)-1-piperazinecarboxamide IUPAC Name: 4-(7-chloroquinolin-4-yl)-N-(1-ethyl-2-oxoazepan-3-yl)piperazine-1-carboxamide Traditional Name: 4-(7-chloro-4-quinolyl)-N-(1-ethyl-2-keto-azepan-3-yl)piperazine-1-carboxamide Formula: C22H28ClN5O2 MolecularWeight: 429.94302

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCCC(C1=O)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

CCN1CCCCC(C1=O)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C22H28ClN5O2/c1-2-26-10-4-3-5-18(21(26)29)25-22(30)28-13-11-27(12-14-28)20-8-9-24-19-15-16(23)6-7-17(19)20/h6-9,15,18H,2-5,10-14H2,1H3,(H,25,30)