1-butoxy-3-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]propan-2-ol

Systemtic Name: 1-butoxy-3-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]propan-2-ol Openeye Name: 1-butoxy-3-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]propan-2-ol CAS Name: 1-butoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-2-propanol IUPAC Name: 1-butoxy-3-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]propan-2-ol Traditional Name: 1-butoxy-3-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]propan-2-ol Formula: C18H28F3N3O2 MolecularWeight: 375.42903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(CN1CCCN(CC1)C2=NC=C(C=C2)C(F)(F)F)O

Isomeric SMILES

CCCCOCC(CN1CCCN(CC1)C2=NC=C(C=C2)C(F)(F)F)O

InChI

InChI=1S/C18H28F3N3O2/c1-2-3-11-26-14-16(25)13-23-7-4-8-24(10-9-23)17-6-5-15(12-22-17)18(19,20)21/h5-6,12,16,25H,2-4,7-11,13-14H2,1H3