[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 4-(5-azanylpyridin-2-yl)benzoate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 4-(5-azanylpyridin-2-yl)benzoate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 4-(5-amino-2-pyridyl)benzoate CAS Name: 4-(5-amino-2-pyridinyl)benzoic acid [2-[[oxo-[(6-phenyl-3-pyridazinyl)amino]methyl]amino]phenyl]methyl ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]methyl 4-(5-aminopyridin-2-yl)benzoate Traditional Name: 4-(5-amino-2-pyridyl)benzoic acid [2-[(6-phenylpyridazin-3-yl)carbamoylamino]benzyl] ester Formula: C30H24N6O3 MolecularWeight: 516.54996

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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(C=C4)C5=NC=C(C=C5)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3COC(=O)C4=CC=C(C=C4)C5=NC=C(C=C5)N

InChI

InChI=1S/C30H24N6O3/c31-24-14-15-25(32-18-24)21-10-12-22(13-11-21)29(37)39-19-23-8-4-5-9-26(23)33-30(38)34-28-17-16-27(35-36-28)20-6-2-1-3-7-20/h1-18H,19,31H2,(H2,33,34,36,38)