methyl 3-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-5,6-diphenyl-pyridazine-4-carboxylate

Systemtic Name: methyl 3-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-5,6-diphenyl-pyridazine-4-carboxylate Openeye Name: methyl 2-[2-(benzylamino)-2-oxo-ethyl]-3-oxo-5,6-diphenyl-pyridazine-4-carboxylate CAS Name: 3-oxo-2-[2-oxo-2-[(phenylmethyl)amino]ethyl]-5,6-diphenyl-4-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(benzylamino)-2-oxoethyl]-3-oxo-5,6-diphenylpyridazine-4-carboxylate Traditional Name: 2-[2-(benzylamino)-2-keto-ethyl]-3-keto-5,6-diphenyl-pyridazine-4-carboxylic acid methyl ester Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NN(C1=O)CC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C(=NN(C1=O)CC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23N3O4/c1-34-27(33)24-23(20-13-7-3-8-14-20)25(21-15-9-4-10-16-21)29-30(26(24)32)18-22(31)28-17-19-11-5-2-6-12-19/h2-16H,17-18H2,1H3,(H,28,31)