tert-butyl 4-[1-(2-methylpyridin-3-yl)prop-2-ynyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(2-methylpyridin-3-yl)prop-2-ynyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(2-methyl-3-pyridyl)prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[1-(2-methyl-3-pyridinyl)prop-2-ynyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2-methylpyridin-3-yl)prop-2-ynyl]piperazine-1-carboxylate Traditional Name: 4-[1-(2-methyl-3-pyridyl)prop-2-ynyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25N3O2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(C#C)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=N1)C(C#C)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H25N3O2/c1-6-16(15-8-7-9-19-14(15)2)20-10-12-21(13-11-20)17(22)23-18(3,4)5/h1,7-9,16H,10-13H2,2-5H3