4-[2-(aminomethyl)-7-chloranyl-quinolin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[2-(aminomethyl)-7-chloranyl-quinolin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide Openeye Name: 4-[2-(aminomethyl)-7-chloro-4-quinolyl]-N-(4-fluorophenyl)piperazine-1-carboxamide CAS Name: 4-[2-(aminomethyl)-7-chloro-4-quinolinyl]-N-(4-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-(aminomethyl)-7-chloroquinolin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-[2-(aminomethyl)-7-chloro-4-quinolyl]-N-(4-fluorophenyl)piperazine-1-carboxamide Formula: C21H21ClFN5O MolecularWeight: 413.875743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=NC3=C2C=CC(=C3)Cl)CN)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC(=NC3=C2C=CC(=C3)Cl)CN)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H21ClFN5O/c22-14-1-6-18-19(11-14)25-17(13-24)12-20(18)27-7-9-28(10-8-27)21(29)26-16-4-2-15(23)3-5-16/h1-6,11-12H,7-10,13,24H2,(H,26,29)