6-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine

Systemtic Name: 6-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-isopropylpiperazin-1-yl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine CAS Name: 6-(4-propan-2-yl-1-piperazinyl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine IUPAC Name: 6-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-isopropylpiperazino)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine Formula: C21H22F3N3O MolecularWeight: 389.41409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)OC4=CC=CC=C42

Isomeric SMILES

CC(C)N1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)OC4=CC=CC=C42

InChI

InChI=1S/C21H22F3N3O/c1-14(2)26-9-11-27(12-10-26)20-16-5-3-4-6-18(16)28-19-8-7-15(21(22,23)24)13-17(19)25-20/h3-8,13-14H,9-12H2,1-2H3