N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(1-norbornan-2-ylethyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[1-(2-norbornyl)ethyl]phthalazine-1-carboxamide Formula: C23H31N3O2 MolecularWeight: 381.51114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C)C3CC4CCC3C4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C)C3CC4CCC3C4

InChI

InChI=1S/C23H31N3O2/c1-3-4-7-12-26-23(28)19-9-6-5-8-18(19)21(25-26)22(27)24-15(2)20-14-16-10-11-17(20)13-16/h5-6,8-9,15-17,20H,3-4,7,10-14H2,1-2H3,(H,24,27)