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

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-N-(3-methoxyphenyl)-1-phthalazinecarboxamide IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)phthalazine-1-carboxamide Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-N-(3-methoxyphenyl)phthalazine-1-carboxamide Formula: C26H24FN5O2 MolecularWeight: 457.499463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H24FN5O2/c1-34-21-6-4-5-19(17-21)28-26(33)24-22-7-2-3-8-23(22)25(30-29-24)32-15-13-31(14-16-32)20-11-9-18(27)10-12-20/h2-12,17H,13-16H2,1H3,(H,28,33)