methyl 4-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-(6-phenyl-3-pyridazinyl)-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(6-phenylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(6-phenylpyridazin-3-yl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H24N4O3/c1-31-24(30)19-7-9-20(10-8-19)25-23(29)18-13-15-28(16-14-18)22-12-11-21(26-27-22)17-5-3-2-4-6-17/h2-12,18H,13-16H2,1H3,(H,25,29)