N-(2-bromophenyl)-4-[4-[(7-chloranylquinolin-4-yl)amino]phenyl]carbonyl-piperazine-1-carboxamide

Systemtic Name: N-(2-bromophenyl)-4-[4-[(7-chloranylquinolin-4-yl)amino]phenyl]carbonyl-piperazine-1-carboxamide Openeye Name: N-(2-bromophenyl)-4-[4-[(7-chloro-4-quinolyl)amino]benzoyl]piperazine-1-carboxamide CAS Name: N-(2-bromophenyl)-4-[[4-[(7-chloro-4-quinolinyl)amino]phenyl]-oxomethyl]-1-piperazinecarboxamide IUPAC Name: N-(2-bromophenyl)-4-[4-[(7-chloroquinolin-4-yl)amino]benzoyl]piperazine-1-carboxamide Traditional Name: N-(2-bromophenyl)-4-[4-[(7-chloro-4-quinolyl)amino]benzoyl]piperazine-1-carboxamide Formula: C27H23BrClN5O2 MolecularWeight: 564.86082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)C(=O)NC5=CC=CC=C5Br

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)C(=O)NC5=CC=CC=C5Br

InChI

InChI=1S/C27H23BrClN5O2/c28-22-3-1-2-4-24(22)32-27(36)34-15-13-33(14-16-34)26(35)18-5-8-20(9-6-18)31-23-11-12-30-25-17-19(29)7-10-21(23)25/h1-12,17H,13-16H2,(H,30,31)(H,32,36)