1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide

Systemtic Name: 1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide Openeye Name: 1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide CAS Name: 1-(3,4-dimethyl-2-phenyl-7-pyrazolo[3,4-d]pyridazinyl)-N-[3-(methylthio)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide Traditional Name: 1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)-N-[3-(methylthio)phenyl]nipecotamide Formula: C26H28N6OS MolecularWeight: 472.60512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3)N4CCCC(C4)C(=O)NC5=CC(=CC=C5)SC)C

Isomeric SMILES

CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3)N4CCCC(C4)C(=O)NC5=CC(=CC=C5)SC)C

InChI

InChI=1S/C26H28N6OS/c1-17-23-18(2)32(21-11-5-4-6-12-21)30-24(23)25(29-28-17)31-14-8-9-19(16-31)26(33)27-20-10-7-13-22(15-20)34-3/h4-7,10-13,15,19H,8-9,14,16H2,1-3H3,(H,27,33)