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

Systemtic Name: N-[(3-fluorophenyl)methyl]-4-[4-(phenylmethyl)piperidin-1-yl]phthalazine-1-carboxamide Openeye Name: 4-(4-benzyl-1-piperidyl)-N-[(3-fluorophenyl)methyl]phthalazine-1-carboxamide CAS Name: N-[(3-fluorophenyl)methyl]-4-[4-(phenylmethyl)-1-piperidinyl]-1-phthalazinecarboxamide IUPAC Name: 4-(4-benzylpiperidin-1-yl)-N-[(3-fluorophenyl)methyl]phthalazine-1-carboxamide Traditional Name: 4-(4-benzylpiperidino)-N-(3-fluorobenzyl)phthalazine-1-carboxamide Formula: C28H27FN4O MolecularWeight: 454.538583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC(=CC=C5)F

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC(=CC=C5)F

InChI

InChI=1S/C28H27FN4O/c29-23-10-6-9-22(18-23)19-30-28(34)26-24-11-4-5-12-25(24)27(32-31-26)33-15-13-21(14-16-33)17-20-7-2-1-3-8-20/h1-12,18,21H,13-17,19H2,(H,30,34)