2-[4-[(2R,5S)-4-dodecyl-2,5-dimethyl-piperazin-1-yl]carbonylphenyl]ethanenitrile

Systemtic Name: 2-[4-[(2R,5S)-4-dodecyl-2,5-dimethyl-piperazin-1-yl]carbonylphenyl]ethanenitrile Openeye Name: 2-[4-[(2R,5S)-4-dodecyl-2,5-dimethyl-piperazine-1-carbonyl]phenyl]acetonitrile CAS Name: 2-[4-[[(2R,5S)-4-dodecyl-2,5-dimethyl-1-piperazinyl]-oxomethyl]phenyl]acetonitrile IUPAC Name: 2-[4-[(2R,5S)-4-dodecyl-2,5-dimethylpiperazine-1-carbonyl]phenyl]acetonitrile Traditional Name: 2-[4-[(2R,5S)-4-lauryl-2,5-dimethyl-piperazine-1-carbonyl]phenyl]acetonitrile Formula: C27H43N3O MolecularWeight: 425.64982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1CC(N(CC1C)C(=O)C2=CC=C(C=C2)CC#N)C

Isomeric SMILES

CCCCCCCCCCCCN1C[C@H](N(C[C@@H]1C)C(=O)C2=CC=C(C=C2)CC#N)C

InChI

InChI=1S/C27H43N3O/c1-4-5-6-7-8-9-10-11-12-13-20-29-21-24(3)30(22-23(29)2)27(31)26-16-14-25(15-17-26)18-19-28/h14-17,23-24H,4-13,18,20-22H2,1-3H3/t23-,24+/m0/s1