[4-ethynyl-1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-yl] N-butylcarbamate

Systemtic Name: [4-ethynyl-1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-yl] N-butylcarbamate Openeye Name: [4-ethynyl-1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-4-piperidyl] N-butylcarbamate CAS Name: N-butylcarbamic acid [4-ethynyl-1-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-4-piperidinyl] ester IUPAC Name: [4-ethynyl-1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-yl] N-butylcarbamate Traditional Name: N-butylcarbamic acid [4-ethynyl-1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-4-piperidyl] ester Formula: C28H32F3N3O2S MolecularWeight: 531.63279

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OC1(CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)C#C

Isomeric SMILES

CCCCNC(=O)OC1(CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)C#C

InChI

InChI=1S/C28H32F3N3O2S/c1-3-5-15-32-26(35)36-27(4-2)13-18-33(19-14-27)16-8-17-34-22-9-6-7-10-24(22)37-25-12-11-21(20-23(25)34)28(29,30)31/h2,6-7,9-12,20H,3,5,8,13-19H2,1H3,(H,32,35)