4-(7-chloranylquinolin-4-yl)-N-[1-(3-morpholin-4-ylpropyl)-2-oxidanylidene-azepan-3-yl]piperazine-1-carboxamide

Systemtic Name: 4-(7-chloranylquinolin-4-yl)-N-[1-(3-morpholin-4-ylpropyl)-2-oxidanylidene-azepan-3-yl]piperazine-1-carboxamide Openeye Name: 4-(7-chloro-4-quinolyl)-N-[1-(3-morpholinopropyl)-2-oxo-azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(7-chloro-4-quinolinyl)-N-[1-[3-(4-morpholinyl)propyl]-2-oxo-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(7-chloroquinolin-4-yl)-N-[1-(3-morpholin-4-ylpropyl)-2-oxoazepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(7-chloro-4-quinolyl)-N-[2-keto-1-(3-morpholinopropyl)azepan-3-yl]piperazine-1-carboxamide Formula: C27H37ClN6O3 MolecularWeight: 529.07408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)CCCN5CCOCC5

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)CCCN5CCOCC5

InChI

InChI=1S/C27H37ClN6O3/c28-21-5-6-22-24(20-21)29-8-7-25(22)32-12-14-34(15-13-32)27(36)30-23-4-1-2-10-33(26(23)35)11-3-9-31-16-18-37-19-17-31/h5-8,20,23H,1-4,9-19H2,(H,30,36)