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

Systemtic Name: 2-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide Openeye Name: 2-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-isopentyl-propanamide CAS Name: 2-(3,4-dimethyl-7-oxo-2-phenyl-6-pyrazolo[3,4-d]pyridazinyl)-N-(3-methylbutyl)propanamide IUPAC Name: 2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(3-methylbutyl)propanamide Traditional Name: N-isoamyl-2-(7-keto-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)propionamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C(C)C(=O)NCCC(C)C)C

Isomeric SMILES

CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C(C)C(=O)NCCC(C)C)C

InChI

InChI=1S/C21H27N5O2/c1-13(2)11-12-22-20(27)16(5)26-21(28)19-18(14(3)23-26)15(4)25(24-19)17-9-7-6-8-10-17/h6-10,13,16H,11-12H2,1-5H3,(H,22,27)