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

Systemtic Name: N-[4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide CAS Name: N-[4-[[4-(4-prop-2-ynoxyphenyl)-1-phthalazinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[4-(4-propargyloxyphenyl)phthalazin-1-yl]amino]phenyl]acetamide Formula: C25H20N4O2 MolecularWeight: 408.4519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)OCC#C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)OCC#C

InChI

InChI=1S/C25H20N4O2/c1-3-16-31-21-14-8-18(9-15-21)24-22-6-4-5-7-23(22)25(29-28-24)27-20-12-10-19(11-13-20)26-17(2)30/h1,4-15H,16H2,2H3,(H,26,30)(H,27,29)