1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-(2-nitrophenyl)prop-2-yn-1-one

Systemtic Name: 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-(2-nitrophenyl)prop-2-yn-1-one Openeye Name: 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-(2-nitrophenyl)prop-2-yn-1-one CAS Name: 1-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-3-(2-nitrophenyl)-2-propyn-1-one IUPAC Name: 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-(2-nitrophenyl)prop-2-yn-1-one Traditional Name: 1-[4-(4-fluorobenzyl)piperazino]-3-(2-nitrophenyl)prop-2-yn-1-one Formula: C20H18FN3O3 MolecularWeight: 367.373623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)F)C(=O)C#CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)F)C(=O)C#CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H18FN3O3/c21-18-8-5-16(6-9-18)15-22-11-13-23(14-12-22)20(25)10-7-17-3-1-2-4-19(17)24(26)27/h1-6,8-9H,11-15H2