(1R)-2-[(3R)-3-(2-azanylethyl)-4-heptyl-piperazin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol

Systemtic Name: (1R)-2-[(3R)-3-(2-azanylethyl)-4-heptyl-piperazin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol Openeye Name: (1R)-2-[(3R)-3-(2-aminoethyl)-4-heptyl-piperazin-1-yl]-1-(6-methoxy-4-quinolyl)ethanol CAS Name: (1R)-2-[(3R)-3-(2-aminoethyl)-4-heptyl-1-piperazinyl]-1-(6-methoxy-4-quinolinyl)ethanol IUPAC Name: (1R)-2-[(3R)-3-(2-aminoethyl)-4-heptylpiperazin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol Traditional Name: (1R)-2-[(3R)-3-(2-aminoethyl)-4-heptyl-piperazino]-1-(6-methoxy-4-quinolyl)ethanol Formula: C25H40N4O2 MolecularWeight: 428.6107

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCN(CC1CCN)CC(C2=C3C=C(C=CC3=NC=C2)OC)O

Isomeric SMILES

CCCCCCCN1CCN(C[C@H]1CCN)C[C@@H](C2=C3C=C(C=CC3=NC=C2)OC)O

InChI

InChI=1S/C25H40N4O2/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,3-7,10,12,14-16,18-19,26H2,1-2H3/t20-,25+/m1/s1