4-(1,3-benzothiazol-2-yl)-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(5-fluoro-2-methoxy-benzyl)piperazino]butan-1-one Formula: C23H26FN3O2S MolecularWeight: 427.534843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)CN2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)F)CN2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H26FN3O2S/c1-29-20-10-9-18(24)15-17(20)16-26-11-13-27(14-12-26)23(28)8-4-7-22-25-19-5-2-3-6-21(19)30-22/h2-3,5-6,9-10,15H,4,7-8,11-14,16H2,1H3