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

Systemtic Name: 2-[(3R,4R)-4-[3-azanyl-3-(6-methoxyquinolin-4-yl)propyl]-1-heptyl-piperidin-3-yl]ethanenitrile Openeye Name: 2-[(3R,4R)-4-[3-amino-3-(6-methoxy-4-quinolyl)propyl]-1-heptyl-3-piperidyl]acetonitrile CAS Name: 2-[(3R,4R)-4-[3-amino-3-(6-methoxy-4-quinolinyl)propyl]-1-heptyl-3-piperidinyl]acetonitrile IUPAC Name: 2-[(3R,4R)-4-[3-amino-3-(6-methoxyquinolin-4-yl)propyl]-1-heptylpiperidin-3-yl]acetonitrile Traditional Name: 2-[(3R,4R)-4-[3-amino-3-(6-methoxy-4-quinolyl)propyl]-1-heptyl-3-piperidyl]acetonitrile Formula: C27H40N4O MolecularWeight: 436.6327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O/c1-3-4-5-6-7-17-31-18-14-21(22(20-31)12-15-28)8-10-26(29)24-13-16-30-27-11-9-23(32-2)19-25(24)27/h9,11,13,16,19,21-22,26H,3-8,10,12,14,17-18,20,29H2,1-2H3/t21-,22+,26?/m1/s1