5-butyloxolan-2-one; oxirane; 10-(3-piperidin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine

Systemtic Name: 5-butyloxolan-2-one; oxirane; 10-(3-piperidin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine Openeye Name: 5-butyltetrahydrofuran-2-one; oxirane; 10-[3-(1-piperidyl)propyl]-2-(trifluoromethyl)phenothiazine CAS Name: 5-butyl-2-oxolanone; oxirane; 10-[3-(1-piperidinyl)propyl]-2-(trifluoromethyl)phenothiazine IUPAC Name: 5-butyloxolan-2-one; oxirane; 10-(3-piperidin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine Traditional Name: 5-butyltetrahydrofuran-2-one; ethylene oxide; 10-(3-piperidinopropyl)-2-(trifluoromethyl)phenothiazine Formula: C31H41F3N2O3S MolecularWeight: 578.72905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(=O)O1.C1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.C1CO1

Isomeric SMILES

CCCCC1CCC(=O)O1.C1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.C1CO1

InChI

InChI=1S/C21H23F3N2S.C8H14O2.C2H4O/c22-21(23,24)16-9-10-20-18(15-16)26(17-7-2-3-8-19(17)27-20)14-6-13-25-11-4-1-5-12-25;1-2-3-4-7-5-6-8(9)10-7;1-2-3-1/h2-3,7-10,15H,1,4-6,11-14H2;7H,2-6H2,1H3;1-2H2