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

Systemtic Name: 3-[(3R,4R)-1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]propanenitrile Openeye Name: 3-[(3R,4R)-1-heptyl-4-[3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]propanenitrile CAS Name: 3-[(3R,4R)-1-heptyl-4-[3-(6-methoxy-4-quinolinyl)propyl]-3-piperidinyl]propanenitrile IUPAC Name: 3-[(3R,4R)-1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]propanenitrile Traditional Name: 3-[(3R,4R)-1-heptyl-4-[3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]propionitrile Formula: C28H41N3O MolecularWeight: 435.64464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCC(C(C1)CCC#N)CCCC2=C3C=C(C=CC3=NC=C2)OC

Isomeric SMILES

CCCCCCCN1CC[C@H]([C@H](C1)CCC#N)CCCC2=C3C=C(C=CC3=NC=C2)OC

InChI

InChI=1S/C28H41N3O/c1-3-4-5-6-7-19-31-20-16-23(25(22-31)12-9-17-29)10-8-11-24-15-18-30-28-14-13-26(32-2)21-27(24)28/h13-15,18,21,23,25H,3-12,16,19-20,22H2,1-2H3/t23-,25+/m1/s1