propyl 5-cyano-2-[2-(4-methylpiperazin-1-yl)ethanoyloxymethyl]-3-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: propyl 5-cyano-2-[2-(4-methylpiperazin-1-yl)ethanoyloxymethyl]-3-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: propyl 5-cyano-2-[[2-(4-methylpiperazin-1-yl)acetyl]oxymethyl]-3-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 5-cyano-2-[[2-(4-methyl-1-piperazinyl)-1-oxoethoxy]methyl]-3-(1,2,4-triazol-1-ylmethyl)benzoic acid propyl ester IUPAC Name: propyl 5-cyano-2-[[2-(4-methylpiperazin-1-yl)acetyl]oxymethyl]-3-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 5-cyano-2-[[2-(4-methylpiperazino)acetyl]oxymethyl]-3-(1,2,4-triazol-1-ylmethyl)benzoic acid propyl ester Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O4/c1-3-8-31-22(30)19-10-17(11-23)9-18(12-28-16-24-15-25-28)20(19)14-32-21(29)13-27-6-4-26(2)5-7-27/h9-10,15-16H,3-8,12-14H2,1-2H3