2-[4-heptyl-5-(hydroxymethyl)-1,4-diazepan-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol

Systemtic Name: 2-[4-heptyl-5-(hydroxymethyl)-1,4-diazepan-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol Openeye Name: 2-[4-heptyl-5-(hydroxymethyl)-1,4-diazepan-1-yl]-1-(6-methoxy-4-quinolyl)ethanol CAS Name: 2-[4-heptyl-5-(hydroxymethyl)-1,4-diazepan-1-yl]-1-(6-methoxy-4-quinolinyl)ethanol IUPAC Name: 2-[4-heptyl-5-(hydroxymethyl)-1,4-diazepan-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol Traditional Name: 2-(4-heptyl-5-methylol-1,4-diazepan-1-yl)-1-(6-methoxy-4-quinolyl)ethanol Formula: C25H39N3O3 MolecularWeight: 429.59546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCN(CCC1CO)CC(C2=C3C=C(C=CC3=NC=C2)OC)O

Isomeric SMILES

CCCCCCCN1CCN(CCC1CO)CC(C2=C3C=C(C=CC3=NC=C2)OC)O

InChI

InChI=1S/C25H39N3O3/c1-3-4-5-6-7-13-28-16-15-27(14-11-20(28)19-29)18-25(30)22-10-12-26-24-9-8-21(31-2)17-23(22)24/h8-10,12,17,20,25,29-30H,3-7,11,13-16,18-19H2,1-2H3