ethyl 5-chloranyl-6-[4-[(4-methylphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-6-[4-[(4-methylphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-(p-tolylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[(4-methylanilino)-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-[(4-methylphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-(p-tolylcarbamoyl)piperazino]nicotinic acid ethyl ester Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O3/c1-3-28-19(26)15-12-17(21)18(22-13-15)24-8-10-25(11-9-24)20(27)23-16-6-4-14(2)5-7-16/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,27)