phenyl-[4-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperazin-1-yl]methanone

Systemtic Name: phenyl-[4-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperazin-1-yl]methanone Openeye Name: phenyl-[4-[3-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]prop-2-ynyl]piperazin-1-yl]methanone CAS Name: phenyl-[4-[3-[(2R)-2,6,6-trimethyl-2-oxanyl]prop-2-ynyl]-1-piperazinyl]methanone IUPAC Name: phenyl-[4-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperazin-1-yl]methanone Traditional Name: phenyl-[4-[3-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]prop-2-ynyl]piperazino]methanone Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(O1)(C)C#CCN2CCN(CC2)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

C[C@@]1(CCCC(O1)(C)C)C#CCN2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H30N2O2/c1-21(2)11-7-12-22(3,26-21)13-8-14-23-15-17-24(18-16-23)20(25)19-9-5-4-6-10-19/h4-6,9-10H,7,11-12,14-18H2,1-3H3/t22-/m1/s1