methyl 4-[[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-[(6-chloro-3-pyridinyl)-oxomethyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(6-chloronicotinoyl)piperazino]methyl]benzoic acid methyl ester Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C19H20ClN3O3/c1-26-19(25)15-4-2-14(3-5-15)13-22-8-10-23(11-9-22)18(24)16-6-7-17(20)21-12-16/h2-7,12H,8-11,13H2,1H3