4-[(4-fluorophenyl)methyl]-1-[2-(5-nitroquinolin-8-yl)oxyethanoyl]piperidine-4-carbonitrile

Systemtic Name: 4-[(4-fluorophenyl)methyl]-1-[2-(5-nitroquinolin-8-yl)oxyethanoyl]piperidine-4-carbonitrile Openeye Name: 4-[(4-fluorophenyl)methyl]-1-[2-[(5-nitro-8-quinolyl)oxy]acetyl]piperidine-4-carbonitrile CAS Name: 4-[(4-fluorophenyl)methyl]-1-[2-[(5-nitro-8-quinolinyl)oxy]-1-oxoethyl]-4-piperidinecarbonitrile IUPAC Name: 4-[(4-fluorophenyl)methyl]-1-[2-(5-nitroquinolin-8-yl)oxyacetyl]piperidine-4-carbonitrile Traditional Name: 4-(4-fluorobenzyl)-1-[2-[(5-nitro-8-quinolyl)oxy]acetyl]isonipecotonitrile Formula: C24H21FN4O4 MolecularWeight: 448.446343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=C(C=C2)F)C#N)C(=O)COC3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

Isomeric SMILES

C1CN(CCC1(CC2=CC=C(C=C2)F)C#N)C(=O)COC3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

InChI

InChI=1S/C24H21FN4O4/c25-18-5-3-17(4-6-18)14-24(16-26)9-12-28(13-10-24)22(30)15-33-21-8-7-20(29(31)32)19-2-1-11-27-23(19)21/h1-8,11H,9-10,12-15H2