2-[1-heptyl-4-[(2R)-2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperazin-2-yl]ethanenitrile

Systemtic Name: 2-[1-heptyl-4-[(2R)-2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]piperazin-2-yl]ethanenitrile Openeye Name: 2-[1-heptyl-4-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]piperazin-2-yl]acetonitrile CAS Name: 2-[1-heptyl-4-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-2-piperazinyl]acetonitrile IUPAC Name: 2-[1-heptyl-4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-2-yl]acetonitrile Traditional Name: 2-[1-heptyl-4-[(2R)-2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]piperazin-2-yl]acetonitrile Formula: C25H36N4O2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCN(CC1CC#N)CC(C2=C3C=C(C=CC3=NC=C2)OC)O

Isomeric SMILES

CCCCCCCN1CCN(CC1CC#N)C[C@@H](C2=C3C=C(C=CC3=NC=C2)OC)O

InChI

InChI=1S/C25H36N4O2/c1-3-4-5-6-7-14-29-16-15-28(18-20(29)10-12-26)19-25(30)22-11-13-27-24-9-8-21(31-2)17-23(22)24/h8-9,11,13,17,20,25,30H,3-7,10,14-16,18-19H2,1-2H3/t20?,25-/m0/s1