4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(trifluoromethyl)quinazoline

Systemtic Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(trifluoromethyl)quinazoline Openeye Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(trifluoromethyl)quinazoline CAS Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-(trifluoromethyl)quinazoline IUPAC Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(trifluoromethyl)quinazoline Traditional Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-(trifluoromethyl)quinazoline Formula: C22H21F3N4O4S MolecularWeight: 494.48675

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC(=NC5=CC=CC=C54)C(F)(F)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC(=NC5=CC=CC=C54)C(F)(F)F)OC1

InChI

InChI=1S/C22H21F3N4O4S/c23-22(24,25)21-26-17-5-2-1-4-16(17)20(27-21)28-8-10-29(11-9-28)34(30,31)15-6-7-18-19(14-15)33-13-3-12-32-18/h1-2,4-7,14H,3,8-13H2