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

Systemtic Name: methyl 4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]benzoate Openeye Name: methyl 4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]benzoate CAS Name: 4-[oxo-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]benzoate Traditional Name: 4-[3-[4-(2-pyrimidyl)piperazino]propylcarbamoyl]benzoic acid methyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H25N5O3/c1-28-19(27)17-6-4-16(5-7-17)18(26)21-10-3-11-24-12-14-25(15-13-24)20-22-8-2-9-23-20/h2,4-9H,3,10-15H2,1H3,(H,21,26)