methyl 6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate Openeye Name: methyl 6-[[bis(2-pyridylmethyl)amino]methyl]pyridine-3-carboxylate CAS Name: 6-[[bis(2-pyridinylmethyl)amino]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate Traditional Name: 6-[[bis(2-pyridylmethyl)amino]methyl]nicotinic acid methyl ester Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3

InChI

InChI=1S/C20H20N4O2/c1-26-20(25)16-8-9-19(23-12-16)15-24(13-17-6-2-4-10-21-17)14-18-7-3-5-11-22-18/h2-12H,13-15H2,1H3