ethyl 1-[2-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)acetyl]piperidine-3-carboxylate CAS Name: 1-[2-(3,4-dimethyl-7-oxo-2-phenyl-6-pyrazolo[3,4-d]pyridazinyl)-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-(7-keto-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)acetyl]nipecotic acid ethyl ester Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O4/c1-4-32-23(31)17-9-8-12-26(13-17)19(29)14-27-22(30)21-20(15(2)24-27)16(3)28(25-21)18-10-6-5-7-11-18/h5-7,10-11,17H,4,8-9,12-14H2,1-3H3