(2S)-2-[4-(2-hydroxyethyl)-1,2,3-triazol-1-yl]-3-methyl-1-piperazin-1-yl-butan-1-one

Systemtic Name: (2S)-2-[4-(2-hydroxyethyl)-1,2,3-triazol-1-yl]-3-methyl-1-piperazin-1-yl-butan-1-one Openeye Name: (2S)-2-[4-(2-hydroxyethyl)triazol-1-yl]-3-methyl-1-piperazin-1-yl-butan-1-one CAS Name: (2S)-2-[4-(2-hydroxyethyl)-1-triazolyl]-3-methyl-1-(1-piperazinyl)-1-butanone IUPAC Name: (2S)-2-[4-(2-hydroxyethyl)triazol-1-yl]-3-methyl-1-piperazin-1-ylbutan-1-one Traditional Name: (2S)-2-[4-(2-hydroxyethyl)triazol-1-yl]-3-methyl-1-piperazino-butan-1-one Formula: C13H23N5O2 MolecularWeight: 281.35402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCNCC1)N2C=C(N=N2)CCO

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCNCC1)N2C=C(N=N2)CCO

InChI

InChI=1S/C13H23N5O2/c1-10(2)12(13(20)17-6-4-14-5-7-17)18-9-11(3-8-19)15-16-18/h9-10,12,14,19H,3-8H2,1-2H3/t12-/m0/s1