N-(1-adamantyl)-N-(2-cyanoethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide CAS Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[4-(4-hydroxyphenyl)-1-piperazinyl]acetamide IUPAC Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide Traditional Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[4-(4-hydroxyphenyl)piperazino]acetamide Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)O

Isomeric SMILES

C1CN(CCN1CC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)O

InChI

InChI=1S/C25H34N4O2/c26-6-1-7-29(25-15-19-12-20(16-25)14-21(13-19)17-25)24(31)18-27-8-10-28(11-9-27)22-2-4-23(30)5-3-22/h2-5,19-21,30H,1,7-18H2