2-[3-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]propyl]-2-(3-methoxyphenyl)tetradecanenitrile

Systemtic Name: 2-[3-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]propyl]-2-(3-methoxyphenyl)tetradecanenitrile Openeye Name: 2-[3-[4-(4-fluorobenzoyl)-1-piperidyl]propyl]-2-(3-methoxyphenyl)tetradecanenitrile CAS Name: 2-[3-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]propyl]-2-(3-methoxyphenyl)tetradecanenitrile IUPAC Name: 2-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-2-(3-methoxyphenyl)tetradecanenitrile Traditional Name: 2-[3-[4-(4-fluorobenzoyl)piperidino]propyl]-2-(3-methoxyphenyl)myristonitrile Formula: C36H51FN2O2 MolecularWeight: 562.800743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCN1CCC(CC1)C(=O)C2=CC=C(C=C2)F)(C#N)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCCCCCCCCCC(CCCN1CCC(CC1)C(=O)C2=CC=C(C=C2)F)(C#N)C3=CC(=CC=C3)OC

InChI

InChI=1S/C36H51FN2O2/c1-3-4-5-6-7-8-9-10-11-12-23-36(29-38,32-15-13-16-34(28-32)41-2)24-14-25-39-26-21-31(22-27-39)35(40)30-17-19-33(37)20-18-30/h13,15-20,28,31H,3-12,14,21-27H2,1-2H3