4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1-phenylethyl)phthalazine-1-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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