4-phenyl-N-[4-(1,2,4-triazol-1-yl)butyl]phthalazin-1-amine

Systemtic Name: 4-phenyl-N-[4-(1,2,4-triazol-1-yl)butyl]phthalazin-1-amine Openeye Name: 4-phenyl-N-[4-(1,2,4-triazol-1-yl)butyl]phthalazin-1-amine CAS Name: 4-phenyl-N-[4-(1,2,4-triazol-1-yl)butyl]-1-phthalazinamine IUPAC Name: 4-phenyl-N-[4-(1,2,4-triazol-1-yl)butyl]phthalazin-1-amine Traditional Name: (4-phenylphthalazin-1-yl)-[4-(1,2,4-triazol-1-yl)butyl]amine Formula: C20H20N6 MolecularWeight: 344.413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCCCCN4C=NC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NCCCCN4C=NC=N4

InChI

InChI=1S/C20H20N6/c1-2-8-16(9-3-1)19-17-10-4-5-11-18(17)20(25-24-19)22-12-6-7-13-26-15-21-14-23-26/h1-5,8-11,14-15H,6-7,12-13H2,(H,22,25)