ethyl 5-cyano-6-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-methyl-2-[4-(2-pyridylmethyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-cyano-6-methyl-2-[4-(2-pyridinylmethyl)-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-6-methyl-2-[4-(2-pyridylmethyl)piperazino]nicotinic acid ethyl ester Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C20H23N5O2/c1-3-27-20(26)18-12-16(13-21)15(2)23-19(18)25-10-8-24(9-11-25)14-17-6-4-5-7-22-17/h4-7,12H,3,8-11,14H2,1-2H3