1-(azepan-1-yl)-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[2-(trifluoromethyl)-4-quinazolinyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazino]ethanone Formula: C21H26F3N5O MolecularWeight: 421.45925

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C21H26F3N5O/c22-21(23,24)20-25-17-8-4-3-7-16(17)19(26-20)29-13-11-27(12-14-29)15-18(30)28-9-5-1-2-6-10-28/h3-4,7-8H,1-2,5-6,9-15H2