3-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-[(4-ethylphenyl)methyl]propanamide

Systemtic Name: 3-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-[(4-ethylphenyl)methyl]propanamide Openeye Name: 3-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-[(4-ethylphenyl)methyl]propanamide CAS Name: 3-(3,4-dimethyl-7-oxo-2-phenyl-6-pyrazolo[3,4-d]pyridazinyl)-N-[(4-ethylphenyl)methyl]propanamide IUPAC Name: 3-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(4-ethylphenyl)methyl]propanamide Traditional Name: N-(4-ethylbenzyl)-3-(7-keto-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)propionamide Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)CCN2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)CCN2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O2/c1-4-19-10-12-20(13-11-19)16-26-22(31)14-15-29-25(32)24-23(17(2)27-29)18(3)30(28-24)21-8-6-5-7-9-21/h5-13H,4,14-16H2,1-3H3,(H,26,31)