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

Systemtic Name: N-[(3-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: N-[(3-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide CAS Name: N-[(3-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-[(3-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: N-(3-fluorobenzyl)-4-[4-(4-fluorophenyl)piperazino]phthalazine-1-carboxamide Formula: C26H23F2N5O MolecularWeight: 459.490526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23F2N5O/c27-19-8-10-21(11-9-19)32-12-14-33(15-13-32)25-23-7-2-1-6-22(23)24(30-31-25)26(34)29-17-18-4-3-5-20(28)16-18/h1-11,16H,12-15,17H2,(H,29,34)