3-butyl-N-(2-ethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-(2-ethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(2-ethoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(2-ethoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(2-ethoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-o-phenetyl-phthalazine-1-carboxamide Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3OCC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3OCC

InChI

InChI=1S/C21H23N3O3/c1-3-5-14-24-21(26)16-11-7-6-10-15(16)19(23-24)20(25)22-17-12-8-9-13-18(17)27-4-2/h6-13H,3-5,14H2,1-2H3,(H,22,25)