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

Systemtic Name: N-[(3-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: N-[(3-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide CAS Name: N-[(3-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-[(3-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: N-(3-fluorobenzyl)-4-[4-(4-methoxyphenyl)piperazino]phthalazine-1-carboxamide Formula: C27H26FN5O2 MolecularWeight: 471.526043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC(=CC=C5)F

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC(=CC=C5)F

InChI

InChI=1S/C27H26FN5O2/c1-35-22-11-9-21(10-12-22)32-13-15-33(16-14-32)26-24-8-3-2-7-23(24)25(30-31-26)27(34)29-18-19-5-4-6-20(28)17-19/h2-12,17H,13-16,18H2,1H3,(H,29,34)