N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-fluorophenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: 4-[4-(2-fluorophenyl)piperazino]-N-piperonyl-phthalazine-1-carboxamide Formula: C27H24FN5O3 MolecularWeight: 485.509563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

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