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

Systemtic Name: (2S)-2-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]-3-methyl-1-piperazin-1-yl-pentan-1-one Openeye Name: (2S)-2-[4-(4-aminobutyl)triazol-1-yl]-3-methyl-1-piperazin-1-yl-pentan-1-one CAS Name: (2S)-2-[4-(4-aminobutyl)-1-triazolyl]-3-methyl-1-(1-piperazinyl)-1-pentanone IUPAC Name: (2S)-2-[4-(4-aminobutyl)triazol-1-yl]-3-methyl-1-piperazin-1-ylpentan-1-one Traditional Name: (2S)-2-[4-(4-aminobutyl)triazol-1-yl]-3-methyl-1-piperazino-pentan-1-one Formula: C16H30N6O MolecularWeight: 322.449

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCNCC1)N2C=C(N=N2)CCCCN

Isomeric SMILES

CCC(C)[C@@H](C(=O)N1CCNCC1)N2C=C(N=N2)CCCCN

InChI

InChI=1S/C16H30N6O/c1-3-13(2)15(16(23)21-10-8-18-9-11-21)22-12-14(19-20-22)6-4-5-7-17/h12-13,15,18H,3-11,17H2,1-2H3/t13?,15-/m0/s1