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

Systemtic Name: 3-[(3R,4R)-1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]-3-oxidanyl-propanenitrile Openeye Name: 3-[(3R,4R)-1-heptyl-4-[3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]-3-hydroxy-propanenitrile CAS Name: 3-[(3R,4R)-1-heptyl-4-[3-(6-methoxy-4-quinolinyl)propyl]-3-piperidinyl]-3-hydroxypropanenitrile IUPAC Name: 3-[(3R,4R)-1-heptyl-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]-3-hydroxypropanenitrile Traditional Name: 3-[(3R,4R)-1-heptyl-4-[3-(6-methoxy-4-quinolyl)propyl]-3-piperidyl]-3-hydroxy-propionitrile Formula: C28H41N3O2 MolecularWeight: 451.64404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41N3O2/c1-3-4-5-6-7-18-31-19-15-23(26(21-31)28(32)13-16-29)10-8-9-22-14-17-30-27-12-11-24(33-2)20-25(22)27/h11-12,14,17,20,23,26,28,32H,3-10,13,15,18-19,21H2,1-2H3/t23-,26+,28?/m1/s1