ethyl 4-[bis(phenylmethyl)amino]-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[bis(phenylmethyl)amino]-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(dibenzylamino)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[bis(phenylmethyl)amino]-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(dibenzylamino)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(dibenzylamino)-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C27H24FN3O3 MolecularWeight: 457.496163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1N(CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1N(CC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H24FN3O3/c1-2-34-27(33)26-24(17-25(32)31(29-26)23-15-13-22(28)14-16-23)30(18-20-9-5-3-6-10-20)19-21-11-7-4-8-12-21/h3-17H,2,18-19H2,1H3