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

Systemtic Name: ethyl 6-[4-[(4-butoxyphenyl)carbamoyl]piperazin-1-yl]-5-chloranyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[(4-butoxyphenyl)carbamoyl]piperazin-1-yl]-5-chloro-pyridine-3-carboxylate CAS Name: 6-[4-[(4-butoxyanilino)-oxomethyl]-1-piperazinyl]-5-chloro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(4-butoxyphenyl)carbamoyl]piperazin-1-yl]-5-chloropyridine-3-carboxylate Traditional Name: 6-[4-[(4-butoxyphenyl)carbamoyl]piperazino]-5-chloro-nicotinic acid ethyl ester Formula: C23H29ClN4O4 MolecularWeight: 460.95376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(=O)OCC)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(=O)OCC)Cl

InChI

InChI=1S/C23H29ClN4O4/c1-3-5-14-32-19-8-6-18(7-9-19)26-23(30)28-12-10-27(11-13-28)21-20(24)15-17(16-25-21)22(29)31-4-2/h6-9,15-16H,3-5,10-14H2,1-2H3,(H,26,30)