4-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)butan-1-one

Systemtic Name: 4-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)butan-1-one Openeye Name: 4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(5-methyl-2-thienyl)butan-1-one CAS Name: 4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperazinyl]-1-(5-methyl-2-thiophenyl)-1-butanone IUPAC Name: 4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)butan-1-one Traditional Name: 4-[4-(6-fluoroindoxazen-3-yl)piperazino]-1-(5-methyl-2-thienyl)butan-1-one Formula: C20H22FN3O2S MolecularWeight: 387.470983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCCN2CCN(CC2)C3=NOC4=C3C=CC(=C4)F

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCCN2CCN(CC2)C3=NOC4=C3C=CC(=C4)F

InChI

InChI=1S/C20H22FN3O2S/c1-14-4-7-19(27-14)17(25)3-2-8-23-9-11-24(12-10-23)20-16-6-5-15(21)13-18(16)26-22-20/h4-7,13H,2-3,8-12H2,1H3