3-fluoranyl-1-phenyl-4-piperazin-1-yl-butan-1-one; methoxybenzene

Systemtic Name: 3-fluoranyl-1-phenyl-4-piperazin-1-yl-butan-1-one; methoxybenzene Openeye Name: anisole; 3-fluoro-1-phenyl-4-piperazin-1-yl-butan-1-one CAS Name: 3-fluoro-1-phenyl-4-(1-piperazinyl)-1-butanone; methoxybenzene IUPAC Name: anisole; 3-fluoro-1-phenyl-4-piperazin-1-ylbutan-1-one Traditional Name: anisole; 3-fluoro-1-phenyl-4-piperazino-butan-1-one Formula: C21H27FN2O2 MolecularWeight: 358.449683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1.C1CN(CCN1)CC(CC(=O)C2=CC=CC=C2)F

Isomeric SMILES

COC1=CC=CC=C1.C1CN(CCN1)CC(CC(=O)C2=CC=CC=C2)F

InChI

InChI=1S/C14H19FN2O.C7H8O/c15-13(11-17-8-6-16-7-9-17)10-14(18)12-4-2-1-3-5-12;1-8-7-5-3-2-4-6-7/h1-5,13,16H,6-11H2;2-6H,1H3