methyl 2-[4-[[[4-bromanyl-3-(3-cyanopropanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[[4-bromanyl-3-(3-cyanopropanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[[4-bromo-3-(3-cyanopropanoylamino)-2-pyridyl]amino]methyl]phenyl]benzoate CAS Name: 2-[4-[[[4-bromo-3-[(3-cyano-1-oxopropyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[[4-bromo-3-(3-cyanopropanoylamino)pyridin-2-yl]amino]methyl]phenyl]benzoate Traditional Name: 2-[4-[[[4-bromo-3-(3-cyanopropanoylamino)-2-pyridyl]amino]methyl]phenyl]benzoic acid methyl ester Formula: C24H21BrN4O3 MolecularWeight: 493.35254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CNC3=NC=CC(=C3NC(=O)CCC#N)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CNC3=NC=CC(=C3NC(=O)CCC#N)Br

InChI

InChI=1S/C24H21BrN4O3/c1-32-24(31)19-6-3-2-5-18(19)17-10-8-16(9-11-17)15-28-23-22(20(25)12-14-27-23)29-21(30)7-4-13-26/h2-3,5-6,8-12,14H,4,7,15H2,1H3,(H,27,28)(H,29,30)