N-[2-[4-(6-fluoranyl-1-benzothiophen-3-yl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide

Systemtic Name: N-[2-[4-(6-fluoranyl-1-benzothiophen-3-yl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide Openeye Name: N-[2-[4-(6-fluorobenzothiophen-3-yl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide CAS Name: N-[2-[4-(6-fluoro-1-benzothiophen-3-yl)-1-piperazinyl]ethyl]-1,2-benzoxazole-3-carboxamide IUPAC Name: N-[2-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethyl]-1,2-benzoxazole-3-carboxamide Traditional Name: N-[2-[4-(6-fluorobenzothiophen-3-yl)piperazino]ethyl]indoxazene-3-carboxamide Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=NOC3=CC=CC=C32)C4=CSC5=C4C=CC(=C5)F

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=NOC3=CC=CC=C32)C4=CSC5=C4C=CC(=C5)F

InChI

InChI=1S/C22H21FN4O2S/c23-15-5-6-16-18(14-30-20(16)13-15)27-11-9-26(10-12-27)8-7-24-22(28)21-17-3-1-2-4-19(17)29-25-21/h1-6,13-14H,7-12H2,(H,24,28)