N-(3,5-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: N-(3,5-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide CAS Name: N-(3,5-dimethoxyphenyl)-4-[4-(4-fluorophenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-(3,5-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: N-(3,5-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazino]phthalazine-1-carboxamide Formula: C27H26FN5O3 MolecularWeight: 487.525443

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H26FN5O3/c1-35-21-15-19(16-22(17-21)36-2)29-27(34)25-23-5-3-4-6-24(23)26(31-30-25)33-13-11-32(12-14-33)20-9-7-18(28)8-10-20/h3-10,15-17H,11-14H2,1-2H3,(H,29,34)