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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]tetradecanenitrile Openeye Name: 2-[3-(4-benzylpiperazin-1-yl)propyl]-2-(3,4-dimethoxyphenyl)tetradecanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-2-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]tetradecanenitrile IUPAC Name: 2-[3-(4-benzylpiperazin-1-yl)propyl]-2-(3,4-dimethoxyphenyl)tetradecanenitrile Traditional Name: 2-[3-(4-benzylpiperazino)propyl]-2-(3,4-dimethoxyphenyl)myristonitrile Formula: C36H55N3O2 MolecularWeight: 561.8408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCN1CCN(CC1)CC2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCCCCCCCCCC(CCCN1CCN(CC1)CC2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C36H55N3O2/c1-4-5-6-7-8-9-10-11-12-16-22-36(31-37,33-20-21-34(40-2)35(29-33)41-3)23-17-24-38-25-27-39(28-26-38)30-32-18-14-13-15-19-32/h13-15,18-21,29H,4-12,16-17,22-28,30H2,1-3H3