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

Systemtic Name: 2-[(3R,4R)-1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]ethanenitrile Openeye Name: 2-[(3R,4R)-1-heptyl-4-[3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]acetonitrile CAS Name: 2-[(3R,4R)-1-heptyl-4-[3-(6-methoxy-4-quinolinyl)propyl]-3-piperidinyl]acetonitrile IUPAC Name: 2-[(3R,4R)-1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]acetonitrile Traditional Name: 2-[(3R,4R)-1-heptyl-4-[3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]acetonitrile Formula: C27H39N3O MolecularWeight: 421.61806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N3O/c1-3-4-5-6-7-18-30-19-15-22(24(21-30)13-16-28)9-8-10-23-14-17-29-27-12-11-25(31-2)20-26(23)27/h11-12,14,17,20,22,24H,3-10,13,15,18-19,21H2,1-2H3/t22-,24+/m1/s1