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

Systemtic Name: N-[4-methyl-3-(1,2,3,4-tetrazol-1-yl)phenyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: 3-isopropyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-methyl-3-(1-tetrazolyl)phenyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[4-methyl-3-(tetrazol-1-yl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-[4-methyl-3-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide Formula: C20H19N7O2 MolecularWeight: 389.41056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)N4C=NN=N4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)N4C=NN=N4

InChI

InChI=1S/C20H19N7O2/c1-12(2)27-20(29)16-7-5-4-6-15(16)18(23-27)19(28)22-14-9-8-13(3)17(10-14)26-11-21-24-25-26/h4-12H,1-3H3,(H,22,28)