[2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(4-anilino-N-isopropyl-anilino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(4-anilino-N-isopropyl-anilino)-2-keto-ethyl] ester Formula: C23H22BrN3O3 MolecularWeight: 468.34308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C23H22BrN3O3/c1-16(2)27(22(28)15-30-23(29)17-12-18(24)14-25-13-17)21-10-8-20(9-11-21)26-19-6-4-3-5-7-19/h3-14,16,26H,15H2,1-2H3