ethyl 4-[4-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-[4-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperazin-1-yl]benzoate CAS Name: 4-[4-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperazin-1-yl]benzoate Traditional Name: 4-[4-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)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)C3=CN=C4C(=C3C)C=CN4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CN=C4C(=C3C)C=CN4

InChI

InChI=1S/C21H24N4O2/c1-3-27-21(26)16-4-6-17(7-5-16)24-10-12-25(13-11-24)19-14-23-20-18(15(19)2)8-9-22-20/h4-9,14H,3,10-13H2,1-2H3,(H,22,23)