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

Systemtic Name: 3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]-N-oxidanylidene-azepane-2-carboxamide Openeye Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-N-oxo-azepane-2-carboxamide CAS Name: 3-[[[4-(2-amino-7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]-N-oxo-2-azepanecarboxamide IUPAC Name: 3-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-N-oxoazepane-2-carboxamide Traditional Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-N-keto-azepane-2-carboxamide Formula: C21H26ClN7O3 MolecularWeight: 459.92924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C(=O)N=O

Isomeric SMILES

C1CCNC(C(C1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)C(=O)N=O

InChI

InChI=1S/C21H26ClN7O3/c22-13-4-5-14-16(11-13)25-18(23)12-17(14)28-7-9-29(10-8-28)21(31)26-15-3-1-2-6-24-19(15)20(30)27-32/h4-5,11-12,15,19,24H,1-3,6-10H2,(H2,23,25)(H,26,31)