3-[(3R,4R)-3-ethyl-1-hexyl-piperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-one

Systemtic Name: 3-[(3R,4R)-3-ethyl-1-hexyl-piperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-one Openeye Name: 3-[(3R,4R)-3-ethyl-1-hexyl-4-piperidyl]-1-(6-methoxy-4-quinolyl)propan-1-one CAS Name: 3-[(3R,4R)-3-ethyl-1-hexyl-4-piperidinyl]-1-(6-methoxy-4-quinolinyl)-1-propanone IUPAC Name: 3-[(3R,4R)-3-ethyl-1-hexylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-one Traditional Name: 3-[(3R,4R)-3-ethyl-1-hexyl-4-piperidyl]-1-(6-methoxy-4-quinolyl)propan-1-one Formula: C26H38N2O2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C(C1)CC)CCC(=O)C2=C3C=C(C=CC3=NC=C2)OC

Isomeric SMILES

CCCCCCN1CC[C@H]([C@H](C1)CC)CCC(=O)C2=C3C=C(C=CC3=NC=C2)OC

InChI

InChI=1S/C26H38N2O2/c1-4-6-7-8-16-28-17-14-21(20(5-2)19-28)9-12-26(29)23-13-15-27-25-11-10-22(30-3)18-24(23)25/h10-11,13,15,18,20-21H,4-9,12,14,16-17,19H2,1-3H3/t20-,21+/m0/s1