3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]-N-cyclohexyl-2-oxidanylidene-azepane-1-carboxamide

Systemtic Name: 3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]-N-cyclohexyl-2-oxidanylidene-azepane-1-carboxamide Openeye Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-N-cyclohexyl-2-oxo-azepane-1-carboxamide CAS Name: 3-[[[4-(2-amino-7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]-N-cyclohexyl-2-oxo-1-azepanecarboxamide IUPAC Name: 3-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-N-cyclohexyl-2-oxoazepane-1-carboxamide Traditional Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-N-cyclohexyl-2-keto-azepane-1-carboxamide Formula: C27H36ClN7O3 MolecularWeight: 542.07284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCCCC(C2=O)NC(=O)N3CCN(CC3)C4=CC(=NC5=C4C=CC(=C5)Cl)N

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCCCC(C2=O)NC(=O)N3CCN(CC3)C4=CC(=NC5=C4C=CC(=C5)Cl)N

InChI

InChI=1S/C27H36ClN7O3/c28-18-9-10-20-22(16-18)31-24(29)17-23(20)33-12-14-34(15-13-33)26(37)32-21-8-4-5-11-35(25(21)36)27(38)30-19-6-2-1-3-7-19/h9-10,16-17,19,21H,1-8,11-15H2,(H2,29,31)(H,30,38)(H,32,37)