ethyl 6-[4-[(4-bromophenyl)carbamoyl]piperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[(4-bromophenyl)carbamoyl]piperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[(4-bromophenyl)carbamoyl]piperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 6-[4-[(4-bromoanilino)-oxomethyl]-1-piperazinyl]-5-cyano-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(4-bromophenyl)carbamoyl]piperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-[4-[(4-bromophenyl)carbamoyl]piperazino]-5-cyano-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C21H19BrF3N5O3 MolecularWeight: 526.30647

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrF3N5O3/c1-2-33-19(31)16-11-13(12-26)18(28-17(16)21(23,24)25)29-7-9-30(10-8-29)20(32)27-15-5-3-14(22)4-6-15/h3-6,11H,2,7-10H2,1H3,(H,27,32)