[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 6-azanyl-5-bromanyl-pyridine-3-carboxylate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 6-azanyl-5-bromanyl-pyridine-3-carboxylate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 6-amino-5-bromo-pyridine-3-carboxylate CAS Name: 6-amino-5-bromo-3-pyridinecarboxylic acid [2-[[oxo-[(6-phenyl-3-pyridazinyl)amino]methyl]amino]phenyl]methyl ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 6-amino-5-bromopyridine-3-carboxylate Traditional Name: 6-amino-5-bromo-nicotinic acid [2-[(6-phenylpyridazin-3-yl)carbamoylamino]benzyl] ester Formula: C24H19BrN6O3 MolecularWeight: 519.35006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3COC(=O)C4=CC(=C(N=C4)N)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3COC(=O)C4=CC(=C(N=C4)N)Br

InChI

InChI=1S/C24H19BrN6O3/c25-18-12-17(13-27-22(18)26)23(32)34-14-16-8-4-5-9-19(16)28-24(33)29-21-11-10-20(30-31-21)15-6-2-1-3-7-15/h1-13H,14H2,(H2,26,27)(H2,28,29,31,33)