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

Systemtic Name: ethyl 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-2-27-21(26)16-5-7-18(8-6-16)25-12-10-24(11-13-25)15-17-14-23-20-19(17)4-3-9-22-20/h3-9,14H,2,10-13,15H2,1H3,(H,22,23)