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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C2CCCN(C2)C3=NN=C(C4=C(N(N=C43)C5=CC=CC=C5)C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C2CCCN(C2)C3=NN=C(C4=C(N(N=C43)C5=CC=CC=C5)C)C

InChI

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