4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(1-ethanoylazepan-3-yl)piperazine-1-carboxamide

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-(1-ethanoylazepan-3-yl)piperazine-1-carboxamide Openeye Name: N-(1-acetylazepan-3-yl)-4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carboxamide CAS Name: N-(1-acetyl-3-azepanyl)-4-(2-amino-7-chloro-4-quinolinyl)-1-piperazinecarboxamide IUPAC Name: N-(1-acetylazepan-3-yl)-4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carboxamide Traditional Name: N-(1-acetylazepan-3-yl)-4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carboxamide Formula: C22H29ClN6O2 MolecularWeight: 444.95766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN6O2/c1-15(30)29-7-3-2-4-17(14-29)25-22(31)28-10-8-27(9-11-28)20-13-21(24)26-19-12-16(23)5-6-18(19)20/h5-6,12-13,17H,2-4,7-11,14H2,1H3,(H2,24,26)(H,25,31)