2-azanyl-1-(3-fluorophenyl)-4-piperazin-1-yl-butan-1-one; methoxybenzene

Systemtic Name: 2-azanyl-1-(3-fluorophenyl)-4-piperazin-1-yl-butan-1-one; methoxybenzene Openeye Name: 2-amino-1-(3-fluorophenyl)-4-piperazin-1-yl-butan-1-one; anisole CAS Name: 2-amino-1-(3-fluorophenyl)-4-(1-piperazinyl)-1-butanone; methoxybenzene IUPAC Name: 2-amino-1-(3-fluorophenyl)-4-piperazin-1-ylbutan-1-one; anisole Traditional Name: 2-amino-1-(3-fluorophenyl)-4-piperazino-butan-1-one; anisole Formula: C21H28FN3O2 MolecularWeight: 373.464323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20FN3O.C7H8O/c15-12-3-1-2-11(10-12)14(19)13(16)4-7-18-8-5-17-6-9-18;1-8-7-5-3-2-4-6-7/h1-3,10,13,17H,4-9,16H2;2-6H,1H3