N-(3-ethynylphenyl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-(3-ethynylphenyl)-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(3-ethynylphenyl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(3-ethynylphenyl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(3-ethynylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(3-ethynylphenyl)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C20H17N3O2 MolecularWeight: 331.36788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C20H17N3O2/c1-3-12-23-20(25)17-11-6-5-10-16(17)18(22-23)19(24)21-15-9-7-8-14(4-2)13-15/h2,5-11,13H,3,12H2,1H3,(H,21,24)