4-[4-(phenylmethyl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide

Systemtic Name: 4-[4-(phenylmethyl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide Openeye Name: 4-(4-benzyl-1-piperidyl)-N-(2-pyridylmethyl)phthalazine-1-carboxamide CAS Name: 4-[4-(phenylmethyl)-1-piperidinyl]-N-(2-pyridinylmethyl)-1-phthalazinecarboxamide IUPAC Name: 4-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide Traditional Name: 4-(4-benzylpiperidino)-N-(2-pyridylmethyl)phthalazine-1-carboxamide Formula: C27H27N5O MolecularWeight: 437.53618

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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=N5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C27H27N5O/c33-27(29-19-22-10-6-7-15-28-22)25-23-11-4-5-12-24(23)26(31-30-25)32-16-13-21(14-17-32)18-20-8-2-1-3-9-20/h1-12,15,21H,13-14,16-19H2,(H,29,33)