4-[(4-fluorophenyl)methyl]-1-(2-isoquinolin-5-yloxyethanoyl)piperidine-4-carbonitrile

Systemtic Name: 4-[(4-fluorophenyl)methyl]-1-(2-isoquinolin-5-yloxyethanoyl)piperidine-4-carbonitrile Openeye Name: 4-[(4-fluorophenyl)methyl]-1-[2-(5-isoquinolyloxy)acetyl]piperidine-4-carbonitrile CAS Name: 4-[(4-fluorophenyl)methyl]-1-[2-(5-isoquinolinyloxy)-1-oxoethyl]-4-piperidinecarbonitrile IUPAC Name: 4-[(4-fluorophenyl)methyl]-1-(2-isoquinolin-5-yloxyacetyl)piperidine-4-carbonitrile Traditional Name: 4-(4-fluorobenzyl)-1-[2-(5-isoquinolyloxy)acetyl]isonipecotonitrile Formula: C24H22FN3O2 MolecularWeight: 403.448783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=C(C=C2)F)C#N)C(=O)COC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CCC1(CC2=CC=C(C=C2)F)C#N)C(=O)COC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C24H22FN3O2/c25-20-6-4-18(5-7-20)14-24(17-26)9-12-28(13-10-24)23(29)16-30-22-3-1-2-19-15-27-11-8-21(19)22/h1-8,11,15H,9-10,12-14,16H2