3-methyl-4-oxidanylidene-N-(2-piperidin-1-ylphenyl)phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-(2-piperidin-1-ylphenyl)phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[2-(1-piperidyl)phenyl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[2-(1-piperidinyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-(2-piperidin-1-ylphenyl)phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-(2-piperidinophenyl)phthalazine-1-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3N4CCCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3N4CCCCC4

InChI

InChI=1S/C21H22N4O2/c1-24-21(27)16-10-4-3-9-15(16)19(23-24)20(26)22-17-11-5-6-12-18(17)25-13-7-2-8-14-25/h3-6,9-12H,2,7-8,13-14H2,1H3,(H,22,26)