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

Systemtic Name: N-[6-[4-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]phenoxy]pyridin-3-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[6-[4-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]piperazin-1-yl]phenoxy]-3-pyridyl]-4-(trifluoromethyl)benzamide CAS Name: N-[6-[4-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-1-piperazinyl]phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[6-[4-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]phenoxy]pyridin-3-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[6-[4-[4-[2-keto-2-(4-piperonylpiperazino)ethyl]piperazino]phenoxy]-3-pyridyl]-4-(trifluoromethyl)benzamide Formula: C37H37F3N6O5 MolecularWeight: 702.72209

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4CCN(CC4)C5=CC=C(C=C5)OC6=NC=C(C=C6)NC(=O)C7=CC=C(C=C7)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4CCN(CC4)C5=CC=C(C=C5)OC6=NC=C(C=C6)NC(=O)C7=CC=C(C=C7)C(F)(F)F

InChI

InChI=1S/C37H37F3N6O5/c38-37(39,40)28-4-2-27(3-5-28)36(48)42-29-6-12-34(41-22-29)51-31-9-7-30(8-10-31)45-17-13-44(14-18-45)24-35(47)46-19-15-43(16-20-46)23-26-1-11-32-33(21-26)50-25-49-32/h1-12,21-22H,13-20,23-25H2,(H,42,48)