methyl 3-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[(1-benzyl-6-oxo-pyridazine-3-carbonyl)amino]-3-phenyl-propanoate CAS Name: 3-[[oxo-[6-oxo-1-(phenylmethyl)-3-pyridazinyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]-3-phenylpropanoate Traditional Name: 3-[(1-benzyl-6-keto-pyridazine-3-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4/c1-29-21(27)14-19(17-10-6-3-7-11-17)23-22(28)18-12-13-20(26)25(24-18)15-16-8-4-2-5-9-16/h2-13,19H,14-15H2,1H3,(H,23,28)