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

Systemtic Name: ethyl 5-chloranyl-6-[4-[(4-fluorophenyl)methylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-[(4-fluorophenyl)methylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[[(4-fluorophenyl)methylamino]-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-[(4-fluorophenyl)methylcarbamoyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-[(4-fluorobenzyl)carbamoyl]piperazino]nicotinic acid ethyl ester Formula: C20H22ClFN4O3 MolecularWeight: 420.865083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NCC3=CC=C(C=C3)F)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NCC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C20H22ClFN4O3/c1-2-29-19(27)15-11-17(21)18(23-13-15)25-7-9-26(10-8-25)20(28)24-12-14-3-5-16(22)6-4-14/h3-6,11,13H,2,7-10,12H2,1H3,(H,24,28)