methyl 4-[4-(3-azanylpyridin-2-yl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(3-azanylpyridin-2-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(3-amino-2-pyridyl)piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-(3-amino-2-pyridinyl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(3-aminopyridin-2-yl)piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(3-amino-2-pyridyl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=N3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=N3)N

InChI

InChI=1S/C18H20N4O3/c1-25-18(24)14-6-4-13(5-7-14)17(23)22-11-9-21(10-12-22)16-15(19)3-2-8-20-16/h2-8H,9-12,19H2,1H3