N-(3-phenoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine

Systemtic Name: N-(3-phenoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine Openeye Name: N-(3-phenoxyphenyl)-4-(4-pyridylmethyl)phthalazin-1-amine CAS Name: N-(3-phenoxyphenyl)-4-(pyridin-4-ylmethyl)-1-phthalazinamine IUPAC Name: N-(3-phenoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine Traditional Name: (3-phenoxyphenyl)-[4-(4-pyridylmethyl)phthalazin-1-yl]amine Formula: C26H20N4O MolecularWeight: 404.4632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)NC3=NN=C(C4=CC=CC=C43)CC5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)NC3=NN=C(C4=CC=CC=C43)CC5=CC=NC=C5

InChI

InChI=1S/C26H20N4O/c1-2-8-21(9-3-1)31-22-10-6-7-20(18-22)28-26-24-12-5-4-11-23(24)25(29-30-26)17-19-13-15-27-16-14-19/h1-16,18H,17H2,(H,28,30)