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

Systemtic Name: 3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]-N-tert-butyl-2-oxidanylidene-azepane-1-carboxamide Openeye Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-N-tert-butyl-2-oxo-azepane-1-carboxamide CAS Name: 3-[[[4-(2-amino-7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]-N-tert-butyl-2-oxo-1-azepanecarboxamide IUPAC Name: 3-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-N-tert-butyl-2-oxoazepane-1-carboxamide Traditional Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-N-tert-butyl-2-keto-azepane-1-carboxamide Formula: C25H34ClN7O3 MolecularWeight: 516.03556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34ClN7O3/c1-25(2,3)30-24(36)33-9-5-4-6-18(22(33)34)29-23(35)32-12-10-31(11-13-32)20-15-21(27)28-19-14-16(26)7-8-17(19)20/h7-8,14-15,18H,4-6,9-13H2,1-3H3,(H2,27,28)(H,29,35)(H,30,36)