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

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(1-ethanoyl-2-oxidanylidene-azepan-3-yl)piperazine-1-carboxamide Openeye Name: N-(1-acetyl-2-oxo-azepan-3-yl)-4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carboxamide CAS Name: N-(1-acetyl-2-oxo-3-azepanyl)-4-(2-amino-7-chloro-4-quinolinyl)-1-piperazinecarboxamide IUPAC Name: N-(1-acetyl-2-oxoazepan-3-yl)-4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carboxamide Traditional Name: N-(1-acetyl-2-keto-azepan-3-yl)-4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carboxamide Formula: C22H27ClN6O3 MolecularWeight: 458.94118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCCC(C1=O)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

Isomeric SMILES

CC(=O)N1CCCCC(C1=O)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

InChI

InChI=1S/C22H27ClN6O3/c1-14(30)29-7-3-2-4-17(21(29)31)26-22(32)28-10-8-27(9-11-28)19-13-20(24)25-18-12-15(23)5-6-16(18)19/h5-6,12-13,17H,2-4,7-11H2,1H3,(H2,24,25)(H,26,32)