oxirane; 10-(3-piperidin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine; 4-propyl-1,3-dioxepan-2-one

Systemtic Name: oxirane; 10-(3-piperidin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine; 4-propyl-1,3-dioxepan-2-one Openeye Name: oxirane; 10-[3-(1-piperidyl)propyl]-2-(trifluoromethyl)phenothiazine; 4-propyl-1,3-dioxepan-2-one CAS Name: oxirane; 10-[3-(1-piperidinyl)propyl]-2-(trifluoromethyl)phenothiazine; 4-propyl-1,3-dioxepan-2-one IUPAC Name: oxirane; 10-(3-piperidin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine; 4-propyl-1,3-dioxepan-2-one Traditional Name: ethylene oxide; 10-(3-piperidinopropyl)-2-(trifluoromethyl)phenothiazine; 4-propyl-1,3-dioxepan-2-one Formula: C31H41F3N2O4S MolecularWeight: 594.72845

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCOC(=O)O1.C1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.C1CO1

Isomeric SMILES

CCCC1CCCOC(=O)O1.C1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.C1CO1

InChI

InChI=1S/C21H23F3N2S.C8H14O3.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;1-2-4-7-5-3-6-10-8(9)11-7;1-2-3-1/h2-3,7-10,15H,1,4-6,11-14H2;7H,2-6H2,1H3;1-2H2