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

Systemtic Name: 4-(7-chloranylquinolin-4-yl)-N-(1-ethanoyl-2-oxidanylidene-azepan-3-yl)piperazine-1-carboxamide Openeye Name: N-(1-acetyl-2-oxo-azepan-3-yl)-4-(7-chloro-4-quinolyl)piperazine-1-carboxamide CAS Name: N-(1-acetyl-2-oxo-3-azepanyl)-4-(7-chloro-4-quinolinyl)-1-piperazinecarboxamide IUPAC Name: N-(1-acetyl-2-oxoazepan-3-yl)-4-(7-chloroquinolin-4-yl)piperazine-1-carboxamide Traditional Name: N-(1-acetyl-2-keto-azepan-3-yl)-4-(7-chloro-4-quinolyl)piperazine-1-carboxamide Formula: C22H26ClN5O3 MolecularWeight: 443.92654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCCC(C1=O)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

CC(=O)N1CCCCC(C1=O)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C22H26ClN5O3/c1-15(29)28-9-3-2-4-18(21(28)30)25-22(31)27-12-10-26(11-13-27)20-7-8-24-19-14-16(23)5-6-17(19)20/h5-8,14,18H,2-4,9-13H2,1H3,(H,25,31)