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

Systemtic Name: 1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dimethyl-2-phenyl-7-pyrazolo[3,4-d]pyridazinyl)-N-[[4-(methylthio)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)-N-[4-(methylthio)benzyl]isonipecotamide Formula: C27H30N6OS MolecularWeight: 486.6317

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3)N4CCC(CC4)C(=O)NCC5=CC=C(C=C5)SC)C

Isomeric SMILES

CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3)N4CCC(CC4)C(=O)NCC5=CC=C(C=C5)SC)C

InChI

InChI=1S/C27H30N6OS/c1-18-24-19(2)33(22-7-5-4-6-8-22)31-25(24)26(30-29-18)32-15-13-21(14-16-32)27(34)28-17-20-9-11-23(35-3)12-10-20/h4-12,21H,13-17H2,1-3H3,(H,28,34)