2-(3,4-dimethoxyphenyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]tetradecanenitrile hydrochloride

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]tetradecanenitrile hydrochloride Openeye Name: 2-(3,4-dimethoxyphenyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]tetradecanenitrile hydrochloride CAS Name: 2-(3,4-dimethoxyphenyl)-2-[3-(4-phenyl-1-piperazinyl)propyl]tetradecanenitrile hydrochloride IUPAC Name: 2-(3,4-dimethoxyphenyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]tetradecanenitrile hydrochloride Traditional Name: 2-(3,4-dimethoxyphenyl)-2-[3-(4-phenylpiperazino)propyl]myristonitrile hydrochloride Formula: C35H54ClN3O2 MolecularWeight: 584.27516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H53N3O2.ClH/c1-4-5-6-7-8-9-10-11-12-16-22-35(30-36,31-20-21-33(39-2)34(29-31)40-3)23-17-24-37-25-27-38(28-26-37)32-18-14-13-15-19-32;/h13-15,18-21,29H,4-12,16-17,22-28H2,1-3H3;1H