2-butyl-3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)carbonyl-3-methyl-7-piperidin-1-yl-tridecanenitrile

Systemtic Name: 2-butyl-3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)carbonyl-3-methyl-7-piperidin-1-yl-tridecanenitrile Openeye Name: 2-butyl-3-(3,4-dimethoxyphenyl)-5-(4-fluorobenzoyl)-3-methyl-7-(1-piperidyl)tridecanenitrile CAS Name: 2-butyl-3-(3,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-oxomethyl]-3-methyl-7-(1-piperidinyl)tridecanenitrile IUPAC Name: 2-butyl-3-(3,4-dimethoxyphenyl)-5-(4-fluorobenzoyl)-3-methyl-7-piperidin-1-yltridecanenitrile Traditional Name: 2-butyl-3-(3,4-dimethoxyphenyl)-5-(4-fluorobenzoyl)-3-methyl-7-piperidino-tridecanenitrile Formula: C38H55FN2O3 MolecularWeight: 606.853303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H55FN2O3/c1-6-8-10-12-16-34(41-23-13-11-14-24-41)25-30(37(42)29-17-20-33(39)21-18-29)27-38(3,32(28-40)15-9-7-2)31-19-22-35(43-4)36(26-31)44-5/h17-22,26,30,32,34H,6-16,23-25,27H2,1-5H3