1-(1,2,4-triazol-1-yl)butan-2-yl 2-acetyloxy-4-(4-methylpiperazin-1-yl)butanoate

Systemtic Name: 1-(1,2,4-triazol-1-yl)butan-2-yl 2-acetyloxy-4-(4-methylpiperazin-1-yl)butanoate Openeye Name: 1-(1,2,4-triazol-1-ylmethyl)propyl 2-acetoxy-4-(4-methylpiperazin-1-yl)butanoate CAS Name: 2-acetyloxy-4-(4-methyl-1-piperazinyl)butanoic acid 1-(1,2,4-triazol-1-yl)butan-2-yl ester IUPAC Name: 1-(1,2,4-triazol-1-yl)butan-2-yl 2-acetyloxy-4-(4-methylpiperazin-1-yl)butanoate Traditional Name: 2-acetoxy-4-(4-methylpiperazino)butyric acid 1-(1,2,4-triazol-1-ylmethyl)propyl ester Formula: C17H29N5O4 MolecularWeight: 367.44326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=NC=N1)OC(=O)C(CCN2CCN(CC2)C)OC(=O)C

Isomeric SMILES

CCC(CN1C=NC=N1)OC(=O)C(CCN2CCN(CC2)C)OC(=O)C

InChI

InChI=1S/C17H29N5O4/c1-4-15(11-22-13-18-12-19-22)26-17(24)16(25-14(2)23)5-6-21-9-7-20(3)8-10-21/h12-13,15-16H,4-11H2,1-3H3