6-(4-butylpiperazin-1-yl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine

Systemtic Name: 6-(4-butylpiperazin-1-yl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-butylpiperazin-1-yl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine CAS Name: 6-(4-butyl-1-piperazinyl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine IUPAC Name: 6-(4-butylpiperazin-1-yl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-butylpiperazino)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine Formula: C22H24F3N3O MolecularWeight: 403.44067

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)OC4=CC=CC=C42

Isomeric SMILES

CCCCN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)OC4=CC=CC=C42

InChI

InChI=1S/C22H24F3N3O/c1-2-3-10-27-11-13-28(14-12-27)21-17-6-4-5-7-19(17)29-20-9-8-16(22(23,24)25)15-18(20)26-21/h4-9,15H,2-3,10-14H2,1H3