4-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]prop-1-ynyl]-2-nitro-aniline

Systemtic Name: 4-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]prop-1-ynyl]-2-nitro-aniline Openeye Name: 4-[3-[4-[(3-fluorophenyl)methyl]-1-piperidyl]prop-1-ynyl]-2-nitro-aniline CAS Name: 4-[3-[4-[(3-fluorophenyl)methyl]-1-piperidinyl]prop-1-ynyl]-2-nitroaniline IUPAC Name: 4-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]prop-1-ynyl]-2-nitroaniline Traditional Name: [4-[3-[4-(3-fluorobenzyl)piperidino]prop-1-ynyl]-2-nitro-phenyl]amine Formula: C21H22FN3O2 MolecularWeight: 367.416683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC(=CC=C2)F)CC#CC3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC(=CC=C2)F)CC#CC3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN3O2/c22-19-5-1-3-18(14-19)13-17-8-11-24(12-9-17)10-2-4-16-6-7-20(23)21(15-16)25(26)27/h1,3,5-7,14-15,17H,8-13,23H2