methyl 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]benzoate CAS Name: 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]benzoate Traditional Name: 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazino]benzoic acid methyl ester Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=CNC4=C3C=CC=N4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=CNC4=C3C=CC=N4

InChI

InChI=1S/C20H22N4O2/c1-26-20(25)15-4-6-17(7-5-15)24-11-9-23(10-12-24)14-16-13-22-19-18(16)3-2-8-21-19/h2-8,13H,9-12,14H2,1H3,(H,21,22)