4-[4-(4-fluorophenyl)piperazin-1-yl]-N-prop-2-ynyl-phthalazine-1-carboxamide

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-prop-2-ynyl-phthalazine-1-carboxamide Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-prop-2-ynyl-phthalazine-1-carboxamide CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-N-prop-2-ynyl-1-phthalazinecarboxamide IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-prop-2-ynylphthalazine-1-carboxamide Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-N-propargyl-phthalazine-1-carboxamide Formula: C22H20FN5O MolecularWeight: 389.425503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C1=NN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C#CCNC(=O)C1=NN=C(C2=CC=CC=C21)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FN5O/c1-2-11-24-22(29)20-18-5-3-4-6-19(18)21(26-25-20)28-14-12-27(13-15-28)17-9-7-16(23)8-10-17/h1,3-10H,11-15H2,(H,24,29)