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

Systemtic Name: N-(2,5-dimethylphenyl)-1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-3-carboxamide Openeye Name: N-(2,5-dimethylphenyl)-1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)piperidine-3-carboxamide CAS Name: N-(2,5-dimethylphenyl)-1-(3,4-dimethyl-2-phenyl-7-pyrazolo[3,4-d]pyridazinyl)-3-piperidinecarboxamide IUPAC Name: N-(2,5-dimethylphenyl)-1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)piperidine-3-carboxamide Traditional Name: N-(2,5-dimethylphenyl)-1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)nipecotamide Formula: C27H30N6O MolecularWeight: 454.5667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2CCCN(C2)C3=NN=C(C4=C(N(N=C43)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2CCCN(C2)C3=NN=C(C4=C(N(N=C43)C5=CC=CC=C5)C)C

InChI

InChI=1S/C27H30N6O/c1-17-12-13-18(2)23(15-17)28-27(34)21-9-8-14-32(16-21)26-25-24(19(3)29-30-26)20(4)33(31-25)22-10-6-5-7-11-22/h5-7,10-13,15,21H,8-9,14,16H2,1-4H3,(H,28,34)