methyl 5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

Systemtic Name: methyl 5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate Openeye Name: methyl 5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate CAS Name: 5-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate Traditional Name: 5-[4-[(4-methylpiperazino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)C3=CN=C4C(=C3)C(=CN4)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)C3=CN=C4C(=C3)C(=CN4)C(=O)OC

InChI

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