N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[6-(4-methyl-1-piperidyl)pyridazin-3-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[6-(4-methyl-1-piperidinyl)-3-pyridazinyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[6-(4-methylpiperidino)pyridazin-3-yl]phenyl]adamantane-1-carboxamide Formula: C27H34N4O MolecularWeight: 430.58506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H34N4O/c1-18-8-10-31(11-9-18)25-7-6-24(29-30-25)22-2-4-23(5-3-22)28-26(32)27-15-19-12-20(16-27)14-21(13-19)17-27/h2-7,18-21H,8-17H2,1H3,(H,28,32)