1-[2,4-bis(fluoranyl)phenyl]-4-piperazin-1-yl-butan-1-one; methoxybenzene

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-4-piperazin-1-yl-butan-1-one; methoxybenzene Openeye Name: anisole; 1-(2,4-difluorophenyl)-4-piperazin-1-yl-butan-1-one CAS Name: 1-(2,4-difluorophenyl)-4-(1-piperazinyl)-1-butanone; methoxybenzene IUPAC Name: anisole; 1-(2,4-difluorophenyl)-4-piperazin-1-ylbutan-1-one Traditional Name: anisole; 1-(2,4-difluorophenyl)-4-piperazino-butan-1-one Formula: C21H26F2N2O2 MolecularWeight: 376.440146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18F2N2O.C7H8O/c15-11-3-4-12(13(16)10-11)14(19)2-1-7-18-8-5-17-6-9-18;1-8-7-5-3-2-4-6-7/h3-4,10,17H,1-2,5-9H2;2-6H,1H3