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

Systemtic Name: 4-[4-(phenylmethyl)piperidin-1-yl]-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide Openeye Name: 4-(4-benzyl-1-piperidyl)-N-[2-(2-pyridyl)ethyl]phthalazine-1-carboxamide CAS Name: 4-[4-(phenylmethyl)-1-piperidinyl]-N-[2-(2-pyridinyl)ethyl]-1-phthalazinecarboxamide IUPAC Name: 4-(4-benzylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide Traditional Name: 4-(4-benzylpiperidino)-N-[2-(2-pyridyl)ethyl]phthalazine-1-carboxamide Formula: C28H29N5O MolecularWeight: 451.56276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NN=C(C4=CC=CC=C43)C(=O)NCCC5=CC=CC=N5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NN=C(C4=CC=CC=C43)C(=O)NCCC5=CC=CC=N5

InChI

InChI=1S/C28H29N5O/c34-28(30-17-13-23-10-6-7-16-29-23)26-24-11-4-5-12-25(24)27(32-31-26)33-18-14-22(15-19-33)20-21-8-2-1-3-9-21/h1-12,16,22H,13-15,17-20H2,(H,30,34)