N-[4-(1-adamantyl)phenyl]-6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxamide Openeye Name: N-[4-(1-adamantyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide CAS Name: N-[4-(1-adamantyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide Traditional Name: N-[4-(1-adamantyl)phenyl]-6-keto-4,5-dihydro-1H-pyridazine-3-carboxamide Formula: C21H25N3O2 MolecularWeight: 351.4421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC(=O)NN=C1C(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25N3O2/c25-19-6-5-18(23-24-19)20(26)22-17-3-1-16(2-4-17)21-10-13-7-14(11-21)9-15(8-13)12-21/h1-4,13-15H,5-12H2,(H,22,26)(H,24,25)