N-[2-[(7-chloranylquinolin-4-yl)amino]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[(7-chloranylquinolin-4-yl)amino]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[(7-chloro-4-quinolyl)amino]ethyl]adamantane-1-carboxamide CAS Name: N-[2-[(7-chloro-4-quinolinyl)amino]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-[(7-chloro-4-quinolyl)amino]ethyl]adamantane-1-carboxamide Formula: C22H26ClN3O MolecularWeight: 383.91434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCNC4=C5C=CC(=CC5=NC=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCNC4=C5C=CC(=CC5=NC=C4)Cl

InChI

InChI=1S/C22H26ClN3O/c23-17-1-2-18-19(3-4-24-20(18)10-17)25-5-6-26-21(27)22-11-14-7-15(12-22)9-16(8-14)13-22/h1-4,10,14-16H,5-9,11-13H2,(H,24,25)(H,26,27)