N-[4-(4-octanoylpiperazin-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: N-[4-(4-octanoylpiperazin-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[4-(4-octanoylpiperazin-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[4-(4-octanoylpiperazin-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-[4-(4-caprylylpiperazino)phenyl]-3,5-bis(trifluoromethyl)benzamide Formula: C27H31F6N3O2 MolecularWeight: 543.544359

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C27H31F6N3O2/c1-2-3-4-5-6-7-24(37)36-14-12-35(13-15-36)23-10-8-22(9-11-23)34-25(38)19-16-20(26(28,29)30)18-21(17-19)27(31,32)33/h8-11,16-18H,2-7,12-15H2,1H3,(H,34,38)