3-hexyl-4-oxidanylidene-N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]phthalazine-1-carboxamide

Systemtic Name: 3-hexyl-4-oxidanylidene-N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]phthalazine-1-carboxamide Openeye Name: 3-hexyl-4-oxo-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide CAS Name: 3-hexyl-4-oxo-N-[4-(1-tetrazolyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-hexyl-4-oxo-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide Traditional Name: 3-hexyl-4-keto-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide Formula: C22H23N7O2 MolecularWeight: 417.46372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C22H23N7O2/c1-2-3-4-7-14-28-22(31)19-9-6-5-8-18(19)20(25-28)21(30)24-16-10-12-17(13-11-16)29-15-23-26-27-29/h5-6,8-13,15H,2-4,7,14H2,1H3,(H,24,30)