4-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]phthalazine-1-carboxamide

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]phthalazine-1-carboxamide Openeye Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(m-tolylmethyl)phthalazine-1-carboxamide CAS Name: 4-[4-(2-fluorophenyl)-1-piperazinyl]-N-[(3-methylphenyl)methyl]-1-phthalazinecarboxamide IUPAC Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]phthalazine-1-carboxamide Traditional Name: 4-[4-(2-fluorophenyl)piperazino]-N-(3-methylbenzyl)phthalazine-1-carboxamide Formula: C27H26FN5O MolecularWeight: 455.526643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C27H26FN5O/c1-19-7-6-8-20(17-19)18-29-27(34)25-21-9-2-3-10-22(21)26(31-30-25)33-15-13-32(14-16-33)24-12-5-4-11-23(24)28/h2-12,17H,13-16,18H2,1H3,(H,29,34)