propyl 2-[2-(4-methylpiperazin-1-yl)ethanoyloxymethyl]-3-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: propyl 2-[2-(4-methylpiperazin-1-yl)ethanoyloxymethyl]-3-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: propyl 2-[[2-(4-methylpiperazin-1-yl)acetyl]oxymethyl]-3-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 2-[[2-(4-methyl-1-piperazinyl)-1-oxoethoxy]methyl]-3-(1,2,4-triazol-1-ylmethyl)benzoic acid propyl ester IUPAC Name: propyl 2-[[2-(4-methylpiperazin-1-yl)acetyl]oxymethyl]-3-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 2-[[2-(4-methylpiperazino)acetyl]oxymethyl]-3-(1,2,4-triazol-1-ylmethyl)benzoic acid propyl ester Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=CC=C1)CN2C=NC=N2)COC(=O)CN3CCN(CC3)C

Isomeric SMILES

CCCOC(=O)C1=C(C(=CC=C1)CN2C=NC=N2)COC(=O)CN3CCN(CC3)C

InChI

InChI=1S/C21H29N5O4/c1-3-11-29-21(28)18-6-4-5-17(12-26-16-22-15-23-26)19(18)14-30-20(27)13-25-9-7-24(2)8-10-25/h4-6,15-16H,3,7-14H2,1-2H3