ethyl 3-[4-(5,7-dimethyl-4-oxidanylidene-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butanoylamino]benzoate

Systemtic Name: ethyl 3-[4-(5,7-dimethyl-4-oxidanylidene-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butanoylamino]benzoate Openeye Name: ethyl 3-[4-(5,7-dimethyl-4-oxo-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butanoylamino]benzoate CAS Name: 3-[[4-(5,7-dimethyl-4-oxo-3-phenyl-6-pyrrolo[3,4-d]pyridazinyl)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)butanoylamino]benzoate Traditional Name: 3-[4-(4-keto-5,7-dimethyl-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butanoylamino]benzoic acid ethyl ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCCN2C(=C3C=NN(C(=O)C3=C2C)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCCN2C(=C3C=NN(C(=O)C3=C2C)C4=CC=CC=C4)C

InChI

InChI=1S/C27H28N4O4/c1-4-35-27(34)20-10-8-11-21(16-20)29-24(32)14-9-15-30-18(2)23-17-28-31(22-12-6-5-7-13-22)26(33)25(23)19(30)3/h5-8,10-13,16-17H,4,9,14-15H2,1-3H3,(H,29,32)