N-phenyl-4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzamide

Systemtic Name: N-phenyl-4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzamide Openeye Name: N-phenyl-4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzamide CAS Name: N-phenyl-4-[[4-(4-prop-2-ynoxyphenyl)-1-phthalazinyl]amino]benzamide IUPAC Name: N-phenyl-4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzamide Traditional Name: N-phenyl-4-[[4-(4-propargyloxyphenyl)phthalazin-1-yl]amino]benzamide Formula: C30H22N4O2 MolecularWeight: 470.52128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C#CCOC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C30H22N4O2/c1-2-20-36-25-18-14-21(15-19-25)28-26-10-6-7-11-27(26)29(34-33-28)31-24-16-12-22(13-17-24)30(35)32-23-8-4-3-5-9-23/h1,3-19H,20H2,(H,31,34)(H,32,35)