5-chloranyl-7-[4-[3-(5-fluoranyl-1-benzothiophen-3-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one

Systemtic Name: 5-chloranyl-7-[4-[3-(5-fluoranyl-1-benzothiophen-3-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one Openeye Name: 5-chloro-7-[4-[3-(5-fluorobenzothiophen-3-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one CAS Name: 5-chloro-7-[4-[3-(5-fluoro-1-benzothiophen-3-yl)propyl]-1-piperazinyl]-3H-1,3-benzoxazol-2-one IUPAC Name: 5-chloro-7-[4-[3-(5-fluoro-1-benzothiophen-3-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one Traditional Name: 5-chloro-7-[4-[3-(5-fluorobenzothiophen-3-yl)propyl]piperazino]-3H-1,3-benzoxazol-2-one Formula: C22H21ClFN3O2S MolecularWeight: 445.937443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CSC3=C2C=C(C=C3)F)C4=C5C(=CC(=C4)Cl)NC(=O)O5

Isomeric SMILES

C1CN(CCN1CCCC2=CSC3=C2C=C(C=C3)F)C4=C5C(=CC(=C4)Cl)NC(=O)O5

InChI

InChI=1S/C22H21ClFN3O2S/c23-15-10-18-21(29-22(28)25-18)19(11-15)27-8-6-26(7-9-27)5-1-2-14-13-30-20-4-3-16(24)12-17(14)20/h3-4,10-13H,1-2,5-9H2,(H,25,28)