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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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