4-[(4-fluorophenyl)methyl]-1-[2-(4-nitrophenoxy)ethanoyl]piperidine-4-carbonitrile

Systemtic Name: 4-[(4-fluorophenyl)methyl]-1-[2-(4-nitrophenoxy)ethanoyl]piperidine-4-carbonitrile Openeye Name: 4-[(4-fluorophenyl)methyl]-1-[2-(4-nitrophenoxy)acetyl]piperidine-4-carbonitrile CAS Name: 4-[(4-fluorophenyl)methyl]-1-[2-(4-nitrophenoxy)-1-oxoethyl]-4-piperidinecarbonitrile IUPAC Name: 4-[(4-fluorophenyl)methyl]-1-[2-(4-nitrophenoxy)acetyl]piperidine-4-carbonitrile Traditional Name: 4-(4-fluorobenzyl)-1-[2-(4-nitrophenoxy)acetyl]isonipecotonitrile Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=C(C=C2)F)C#N)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1(CC2=CC=C(C=C2)F)C#N)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20FN3O4/c22-17-3-1-16(2-4-17)13-21(15-23)9-11-24(12-10-21)20(26)14-29-19-7-5-18(6-8-19)25(27)28/h1-8H,9-14H2