ethyl 5-cyano-6-[4-(phenylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[4-(phenylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-(phenylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[anilino(oxo)methyl]-1-piperazinyl]-5-cyano-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-(phenylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-(phenylcarbamoyl)piperazino]nicotinic acid ethyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C(=C1)C#N)N2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(C(=C1)C#N)N2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O3/c1-2-28-19(26)16-12-15(13-21)18(22-14-16)24-8-10-25(11-9-24)20(27)23-17-6-4-3-5-7-17/h3-7,12,14H,2,8-11H2,1H3,(H,23,27)