N-[6-[4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-amino]-2-fluoranyl-phenoxy]pyridin-3-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[6-[4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-amino]-2-fluoranyl-phenoxy]pyridin-3-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[6-[4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-amino]-2-fluoro-phenoxy]-3-pyridyl]-4-(trifluoromethyl)benzamide CAS Name: N-[6-[4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-methylamino]-2-fluorophenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[6-[4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-methylamino]-2-fluorophenoxy]pyridin-3-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[6-[2-fluoro-4-[[2-keto-2-(4-piperonylpiperazino)ethyl]-methyl-amino]phenoxy]-3-pyridyl]-4-(trifluoromethyl)benzamide Formula: C34H31F4N5O5 MolecularWeight: 665.634053

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)OC5=NC=C(C=C5)NC(=O)C6=CC=C(C=C6)C(F)(F)F)F

Isomeric SMILES

CN(CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)OC5=NC=C(C=C5)NC(=O)C6=CC=C(C=C6)C(F)(F)F)F

InChI

InChI=1S/C34H31F4N5O5/c1-41(20-32(44)43-14-12-42(13-15-43)19-22-2-9-29-30(16-22)47-21-46-29)26-8-10-28(27(35)17-26)48-31-11-7-25(18-39-31)40-33(45)23-3-5-24(6-4-23)34(36,37)38/h2-11,16-18H,12-15,19-21H2,1H3,(H,40,45)