2-[(3R,4R)-1-heptyl-4-[3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl]piperidin-3-yl]ethanenitrile

Systemtic Name: 2-[(3R,4R)-1-heptyl-4-[3-(6-methoxyquinolin-4-yl)-3-oxidanyl-propyl]piperidin-3-yl]ethanenitrile Openeye Name: 2-[(3R,4R)-1-heptyl-4-[3-hydroxy-3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]acetonitrile CAS Name: 2-[(3R,4R)-1-heptyl-4-[3-hydroxy-3-(6-methoxy-4-quinolinyl)propyl]-3-piperidinyl]acetonitrile IUPAC Name: 2-[(3R,4R)-1-heptyl-4-[3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]acetonitrile Traditional Name: 2-[(3R,4R)-1-heptyl-4-[3-hydroxy-3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]acetonitrile Formula: C27H39N3O2 MolecularWeight: 437.61746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCC(C(C1)CC#N)CCC(C2=C3C=C(C=CC3=NC=C2)OC)O

Isomeric SMILES

CCCCCCCN1CC[C@H]([C@H](C1)CC#N)CCC(C2=C3C=C(C=CC3=NC=C2)OC)O

InChI

InChI=1S/C27H39N3O2/c1-3-4-5-6-7-17-30-18-14-21(22(20-30)12-15-28)8-11-27(31)24-13-16-29-26-10-9-23(32-2)19-25(24)26/h9-10,13,16,19,21-22,27,31H,3-8,11-12,14,17-18,20H2,1-2H3/t21-,22+,27?/m1/s1