N-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: N-(4-fluorobenzyl)-4-[4-(4-methoxyphenyl)piperazino]phthalazine-1-carboxamide Formula: C27H26FN5O2 MolecularWeight: 471.526043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC=C(C=C5)F

InChI

InChI=1S/C27H26FN5O2/c1-35-22-12-10-21(11-13-22)32-14-16-33(17-15-32)26-24-5-3-2-4-23(24)25(30-31-26)27(34)29-18-19-6-8-20(28)9-7-19/h2-13H,14-18H2,1H3,(H,29,34)