[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 6-azanylpyridine-3-carboxylate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 6-azanylpyridine-3-carboxylate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 6-aminopyridine-3-carboxylate CAS Name: 6-amino-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-aminopyridine-3-carboxylate Traditional Name: 6-aminonicotinic acid [2-[(6-phenylpyridazin-3-yl)carbamoylamino]benzyl] ester Formula: C24H20N6O3 MolecularWeight: 440.454

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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=CN=C(C=C4)N

Isomeric SMILES

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

InChI

InChI=1S/C24H20N6O3/c25-21-12-10-17(14-26-21)23(31)33-15-18-8-4-5-9-19(18)27-24(32)28-22-13-11-20(29-30-22)16-6-2-1-3-7-16/h1-14H,15H2,(H2,25,26)(H2,27,28,30,32)