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

Systemtic Name: N-(cyclohexylmethyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: N-(cyclohexylmethyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide CAS Name: N-(cyclohexylmethyl)-4-[4-(2-fluorophenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-(cyclohexylmethyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: N-(cyclohexylmethyl)-4-[4-(2-fluorophenyl)piperazino]phthalazine-1-carboxamide Formula: C26H30FN5O MolecularWeight: 447.547703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C26H30FN5O/c27-22-12-6-7-13-23(22)31-14-16-32(17-15-31)25-21-11-5-4-10-20(21)24(29-30-25)26(33)28-18-19-8-2-1-3-9-19/h4-7,10-13,19H,1-3,8-9,14-18H2,(H,28,33)