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

Systemtic Name: 4-[4-(phenylmethyl)piperidin-1-yl]-N-(pyridin-4-ylmethyl)phthalazine-1-carboxamide Openeye Name: 4-(4-benzyl-1-piperidyl)-N-(4-pyridylmethyl)phthalazine-1-carboxamide CAS Name: 4-[4-(phenylmethyl)-1-piperidinyl]-N-(pyridin-4-ylmethyl)-1-phthalazinecarboxamide IUPAC Name: 4-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)phthalazine-1-carboxamide Traditional Name: 4-(4-benzylpiperidino)-N-(4-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=NC=C5

Isomeric SMILES

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

InChI

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