N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-fluorophenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-N-piperonyl-phthalazine-1-carboxamide Formula: C27H24FN5O3 MolecularWeight: 485.509563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H24FN5O3/c28-19-6-8-20(9-7-19)32-11-13-33(14-12-32)26-22-4-2-1-3-21(22)25(30-31-26)27(34)29-16-18-5-10-23-24(15-18)36-17-35-23/h1-10,15H,11-14,16-17H2,(H,29,34)