4-azanyl-N-[(R)-[8-[(4-azido-2-oxidanyl-phenyl)carbonylamino]quinolin-4-yl]-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methoxy]-2-oxidanyl-benzamide

Systemtic Name: 4-azanyl-N-[(R)-[8-[(4-azido-2-oxidanyl-phenyl)carbonylamino]quinolin-4-yl]-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methoxy]-2-oxidanyl-benzamide Openeye Name: 4-amino-N-[(R)-[8-[(4-azido-2-hydroxy-benzoyl)amino]-4-quinolyl]-[(4S,5R)-5-ethylquinuclidin-2-yl]methoxy]-2-hydroxy-benzamide CAS Name: 4-amino-N-[(R)-[8-[[(4-azido-2-hydroxyphenyl)-oxomethyl]amino]-4-quinolinyl]-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methoxy]-2-hydroxybenzamide IUPAC Name: 4-amino-N-[(R)-[8-[(4-azido-2-hydroxybenzoyl)amino]quinolin-4-yl]-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methoxy]-2-hydroxybenzamide Traditional Name: 4-amino-N-[(R)-[8-[(4-azido-2-hydroxy-benzoyl)amino]-4-quinolyl]-[(4S,5R)-5-ethylquinuclidin-2-yl]methoxy]-2-hydroxy-benzamide Formula: C33H34N8O5 MolecularWeight: 622.67366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN2CCC1CC2C(C3=C4C=CC=C(C4=NC=C3)NC(=O)C5=C(C=C(C=C5)N=[N+]=[N-])O)ONC(=O)C6=C(C=C(C=C6)N)O

Isomeric SMILES

CC[C@H]1CN2CC[C@H]1CC2[C@@H](C3=C4C=CC=C(C4=NC=C3)NC(=O)C5=C(C=C(C=C5)N=[N+]=[N-])O)ONC(=O)C6=C(C=C(C=C6)N)O

InChI

InChI=1S/C33H34N8O5/c1-2-18-17-41-13-11-19(18)14-27(41)31(46-39-33(45)25-8-6-20(34)15-28(25)42)23-10-12-36-30-22(23)4-3-5-26(30)37-32(44)24-9-7-21(38-40-35)16-29(24)43/h3-10,12,15-16,18-19,27,31,42-43H,2,11,13-14,17,34H2,1H3,(H,37,44)(H,39,45)/t18-,19-,27?,31+/m0/s1