2-(3,4-dimethoxyphenyl)-2-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]tetradecanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]tetradecanenitrile Openeye Name: 2-[3-(4-benzhydrylpiperazin-1-yl)propyl]-2-(3,4-dimethoxyphenyl)tetradecanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-2-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]tetradecanenitrile IUPAC Name: 2-[3-(4-benzhydrylpiperazin-1-yl)propyl]-2-(3,4-dimethoxyphenyl)tetradecanenitrile Traditional Name: 2-[3-(4-benzhydrylpiperazino)propyl]-2-(3,4-dimethoxyphenyl)myristonitrile Formula: C42H59N3O2 MolecularWeight: 637.93676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCCCCCCCCCCCC(CCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C42H59N3O2/c1-4-5-6-7-8-9-10-11-12-19-27-42(35-43,38-25-26-39(46-2)40(34-38)47-3)28-20-29-44-30-32-45(33-31-44)41(36-21-15-13-16-22-36)37-23-17-14-18-24-37/h13-18,21-26,34,41H,4-12,19-20,27-33H2,1-3H3