1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-N-(7-methoxy-2,2-dimethyl-chroman-4-yl)piperidine-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-(7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-4-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-N-(7-methoxy-2,2-dimethyl-chroman-4-yl)isonipecotamide Formula: C25H30ClFN2O3 MolecularWeight: 460.968703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(O1)C=C(C=C2)OC)NC(=O)C3CCN(CC3)CC4=C(C=CC=C4Cl)F)C

Isomeric SMILES

CC1(CC(C2=C(O1)C=C(C=C2)OC)NC(=O)C3CCN(CC3)CC4=C(C=CC=C4Cl)F)C

InChI

InChI=1S/C25H30ClFN2O3/c1-25(2)14-22(18-8-7-17(31-3)13-23(18)32-25)28-24(30)16-9-11-29(12-10-16)15-19-20(26)5-4-6-21(19)27/h4-8,13,16,22H,9-12,14-15H2,1-3H3,(H,28,30)