4-[(4-fluorophenyl)methyl]-1-(2-isoquinolin-7-yloxyethanoyl)piperidine-4-carbonitrile

Systemtic Name: 4-[(4-fluorophenyl)methyl]-1-(2-isoquinolin-7-yloxyethanoyl)piperidine-4-carbonitrile Openeye Name: 4-[(4-fluorophenyl)methyl]-1-[2-(7-isoquinolyloxy)acetyl]piperidine-4-carbonitrile CAS Name: 4-[(4-fluorophenyl)methyl]-1-[2-(7-isoquinolinyloxy)-1-oxoethyl]-4-piperidinecarbonitrile IUPAC Name: 4-[(4-fluorophenyl)methyl]-1-(2-isoquinolin-7-yloxyacetyl)piperidine-4-carbonitrile Traditional Name: 4-(4-fluorobenzyl)-1-[2-(7-isoquinolyloxy)acetyl]isonipecotonitrile Formula: C24H22FN3O2 MolecularWeight: 403.448783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=C(C=C2)F)C#N)C(=O)COC3=CC4=C(C=C3)C=CN=C4

Isomeric SMILES

C1CN(CCC1(CC2=CC=C(C=C2)F)C#N)C(=O)COC3=CC4=C(C=C3)C=CN=C4

InChI

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