(2S)-2-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]-3-methyl-1-piperidin-4-yl-pentan-1-one

Systemtic Name: (2S)-2-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]-3-methyl-1-piperidin-4-yl-pentan-1-one Openeye Name: (2S)-2-[4-(4-aminobutyl)triazol-1-yl]-3-methyl-1-(4-piperidyl)pentan-1-one CAS Name: (2S)-2-[4-(4-aminobutyl)-1-triazolyl]-3-methyl-1-(4-piperidinyl)-1-pentanone IUPAC Name: (2S)-2-[4-(4-aminobutyl)triazol-1-yl]-3-methyl-1-piperidin-4-ylpentan-1-one Traditional Name: (2S)-2-[4-(4-aminobutyl)triazol-1-yl]-3-methyl-1-(4-piperidyl)pentan-1-one Formula: C17H31N5O MolecularWeight: 321.46094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C1CCNCC1)N2C=C(N=N2)CCCCN

Isomeric SMILES

CCC(C)[C@@H](C(=O)C1CCNCC1)N2C=C(N=N2)CCCCN

InChI

InChI=1S/C17H31N5O/c1-3-13(2)16(17(23)14-7-10-19-11-8-14)22-12-15(20-21-22)6-4-5-9-18/h12-14,16,19H,3-11,18H2,1-2H3/t13?,16-/m0/s1