methyl (E)-2-benzamido-3-(3,3,5-trimethyl-4-oxidanylidene-7-phenyl-1H-pyrazolo[3,4-d]pyridazin-2-yl)prop-2-enoate

Systemtic Name: methyl (E)-2-benzamido-3-(3,3,5-trimethyl-4-oxidanylidene-7-phenyl-1H-pyrazolo[3,4-d]pyridazin-2-yl)prop-2-enoate Openeye Name: methyl (E)-2-benzamido-3-(3,3,5-trimethyl-4-oxo-7-phenyl-1H-pyrazolo[3,4-d]pyridazin-2-yl)prop-2-enoate CAS Name: (E)-2-benzamido-3-(3,3,5-trimethyl-4-oxo-7-phenyl-1H-pyrazolo[3,4-d]pyridazin-2-yl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-benzamido-3-(3,3,5-trimethyl-4-oxo-7-phenyl-1H-pyrazolo[3,4-d]pyridazin-2-yl)prop-2-enoate Traditional Name: (E)-2-benzamido-3-(4-keto-3,3,5-trimethyl-7-phenyl-1H-pyrazolo[3,4-d]pyridazin-2-yl)acrylic acid methyl ester Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=NN(C2=O)C)C3=CC=CC=C3)NN1C=C(C(=O)OC)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(C2=C(C(=NN(C2=O)C)C3=CC=CC=C3)NN1/C=C(\C(=O)OC)/NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H25N5O4/c1-25(2)19-21(20(27-29(3)23(19)32)16-11-7-5-8-12-16)28-30(25)15-18(24(33)34-4)26-22(31)17-13-9-6-10-14-17/h5-15,28H,1-4H3,(H,26,31)/b18-15+