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

Systemtic Name: 1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(3,4-dimethyl-2-phenyl-7-pyrazolo[3,4-d]pyridazinyl)-N-[(4-ethylphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)-N-(4-ethylbenzyl)nipecotamide Formula: C28H32N6O MolecularWeight: 468.59328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N6O/c1-4-21-12-14-22(15-13-21)17-29-28(35)23-9-8-16-33(18-23)27-26-25(19(2)30-31-27)20(3)34(32-26)24-10-6-5-7-11-24/h5-7,10-15,23H,4,8-9,16-18H2,1-3H3,(H,29,35)