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

Systemtic Name: (3S)-3-[[4-(2-azanyl-7-chloranyl-quinolin-4-yl)piperazin-1-yl]carbonylamino]-N-methyl-2-oxidanylidene-azepane-1-carboxamide Openeye Name: (3S)-3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-N-methyl-2-oxo-azepane-1-carboxamide CAS Name: (3S)-3-[[[4-(2-amino-7-chloro-4-quinolinyl)-1-piperazinyl]-oxomethyl]amino]-N-methyl-2-oxo-1-azepanecarboxamide IUPAC Name: (3S)-3-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-N-methyl-2-oxoazepane-1-carboxamide Traditional Name: (3S)-3-[[4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carbonyl]amino]-2-keto-N-methyl-azepane-1-carboxamide Formula: C22H28ClN7O3 MolecularWeight: 473.95582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CNC(=O)N1CCCC[C@@H](C1=O)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

InChI

InChI=1S/C22H28ClN7O3/c1-25-21(32)30-7-3-2-4-16(20(30)31)27-22(33)29-10-8-28(9-11-29)18-13-19(24)26-17-12-14(23)5-6-15(17)18/h5-6,12-13,16H,2-4,7-11H2,1H3,(H2,24,26)(H,25,32)(H,27,33)/t16-/m0/s1