ethyl 4-(3-methyl-4-pyrimidin-2-yl-piperazin-1-yl)benzoate

Systemtic Name: ethyl 4-(3-methyl-4-pyrimidin-2-yl-piperazin-1-yl)benzoate Openeye Name: ethyl 4-(3-methyl-4-pyrimidin-2-yl-piperazin-1-yl)benzoate CAS Name: 4-[3-methyl-4-(2-pyrimidinyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-methyl-4-pyrimidin-2-ylpiperazin-1-yl)benzoate Traditional Name: 4-[3-methyl-4-(2-pyrimidyl)piperazino]benzoic acid ethyl ester Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCN(C(C2)C)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCN(C(C2)C)C3=NC=CC=N3

InChI

InChI=1S/C18H22N4O2/c1-3-24-17(23)15-5-7-16(8-6-15)21-11-12-22(14(2)13-21)18-19-9-4-10-20-18/h4-10,14H,3,11-13H2,1-2H3