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

Systemtic Name: 3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]-N-cyclopentyl-2-oxidanylidene-azepane-1-carboxamide Openeye Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-N-cyclopentyl-2-oxo-azepane-1-carboxamide CAS Name: 3-[[[4-(2-amino-7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]-N-cyclopentyl-2-oxo-1-azepanecarboxamide IUPAC Name: 3-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-N-cyclopentyl-2-oxoazepane-1-carboxamide Traditional Name: 3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-N-cyclopentyl-2-keto-azepane-1-carboxamide Formula: C26H34ClN7O3 MolecularWeight: 528.04626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)N2CCCCC(C2=O)NC(=O)N3CCN(CC3)C4=CC(=NC5=C4C=CC(=C5)Cl)N

Isomeric SMILES

C1CCC(C1)NC(=O)N2CCCCC(C2=O)NC(=O)N3CCN(CC3)C4=CC(=NC5=C4C=CC(=C5)Cl)N

InChI

InChI=1S/C26H34ClN7O3/c27-17-8-9-19-21(15-17)30-23(28)16-22(19)32-11-13-33(14-12-32)25(36)31-20-7-3-4-10-34(24(20)35)26(37)29-18-5-1-2-6-18/h8-9,15-16,18,20H,1-7,10-14H2,(H2,28,30)(H,29,37)(H,31,36)