3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)carbonyl-3-methyl-6-piperidin-1-yl-2-propyl-dodecanenitrile

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)carbonyl-3-methyl-6-piperidin-1-yl-2-propyl-dodecanenitrile Openeye Name: 3-(3,4-dimethoxyphenyl)-5-(4-fluorobenzoyl)-3-methyl-6-(1-piperidyl)-2-propyl-dodecanenitrile CAS Name: 3-(3,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-oxomethyl]-3-methyl-6-(1-piperidinyl)-2-propyldodecanenitrile IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-(4-fluorobenzoyl)-3-methyl-6-piperidin-1-yl-2-propyldodecanenitrile Traditional Name: 3-(3,4-dimethoxyphenyl)-5-(4-fluorobenzoyl)-3-methyl-6-piperidino-2-propyl-lauronitrile Formula: C36H51FN2O3 MolecularWeight: 578.800143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CC(C)(C1=CC(=C(C=C1)OC)OC)C(CCC)C#N)C(=O)C2=CC=C(C=C2)F)N3CCCCC3

Isomeric SMILES

CCCCCCC(C(CC(C)(C1=CC(=C(C=C1)OC)OC)C(CCC)C#N)C(=O)C2=CC=C(C=C2)F)N3CCCCC3

InChI

InChI=1S/C36H51FN2O3/c1-6-8-9-11-15-32(39-22-12-10-13-23-39)31(35(40)27-16-19-30(37)20-17-27)25-36(3,29(26-38)14-7-2)28-18-21-33(41-4)34(24-28)42-5/h16-21,24,29,31-32H,6-15,22-23,25H2,1-5H3