methyl 4-methyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H23N5O3/c1-14-4-5-15(18(26)27-2)12-16(14)22-17(25)13-23-8-10-24(11-9-23)19-20-6-3-7-21-19/h3-7,12H,8-11,13H2,1-2H3,(H,22,25)