4-(4-chloranylphthalazin-1-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(4-chloranylphthalazin-1-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide Openeye Name: 4-(4-chlorophthalazin-1-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide CAS Name: 4-(4-chloro-1-phthalazinyl)-N-(4-phenoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(4-chlorophthalazin-1-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-(4-chlorophthalazin-1-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide Formula: C25H22ClN5O2 MolecularWeight: 459.92748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C3=CC=CC=C32)Cl)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NN=C(C3=CC=CC=C32)Cl)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C25H22ClN5O2/c26-23-21-8-4-5-9-22(21)24(29-28-23)30-14-16-31(17-15-30)25(32)27-18-10-12-20(13-11-18)33-19-6-2-1-3-7-19/h1-13H,14-17H2,(H,27,32)