4-[4-(phenylmethyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide

Systemtic Name: 4-[4-(phenylmethyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide Openeye Name: 4-(4-benzyl-1-piperidyl)-N-(3-pyridylmethyl)phthalazine-1-carboxamide CAS Name: 4-[4-(phenylmethyl)-1-piperidinyl]-N-(3-pyridinylmethyl)-1-phthalazinecarboxamide IUPAC Name: 4-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide Traditional Name: 4-(4-benzylpiperidino)-N-(3-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=CN=CC=C5

Isomeric SMILES

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

InChI

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