N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethyl-2-phenyl-7-pyrazolo[3,4-d]pyridazinyl)-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)piperidine-3-carboxamide Traditional Name: 1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)-N-piperonyl-nipecotamide Formula: C27H28N6O3 MolecularWeight: 484.54962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3)N4CCCC(C4)C(=O)NCC5=CC6=C(C=C5)OCO6)C

Isomeric SMILES

CC1=C2C(=NN=C(C2=NN1C3=CC=CC=C3)N4CCCC(C4)C(=O)NCC5=CC6=C(C=C5)OCO6)C

InChI

InChI=1S/C27H28N6O3/c1-17-24-18(2)33(21-8-4-3-5-9-21)31-25(24)26(30-29-17)32-12-6-7-20(15-32)27(34)28-14-19-10-11-22-23(13-19)36-16-35-22/h3-5,8-11,13,20H,6-7,12,14-16H2,1-2H3,(H,28,34)