2-phenyl-N-[[6-[(4-pyrimidin-5-ylphthalazin-1-yl)oxymethyl]pyridin-2-yl]methyl]ethanamine

Systemtic Name: 2-phenyl-N-[[6-[(4-pyrimidin-5-ylphthalazin-1-yl)oxymethyl]pyridin-2-yl]methyl]ethanamine Openeye Name: 2-phenyl-N-[[6-[(4-pyrimidin-5-ylphthalazin-1-yl)oxymethyl]-2-pyridyl]methyl]ethanamine CAS Name: 2-phenyl-N-[[6-[[4-(5-pyrimidinyl)-1-phthalazinyl]oxymethyl]-2-pyridinyl]methyl]ethanamine IUPAC Name: 2-phenyl-N-[[6-[(4-pyrimidin-5-ylphthalazin-1-yl)oxymethyl]pyridin-2-yl]methyl]ethanamine Traditional Name: phenethyl-[[6-[[4-(5-pyrimidyl)phthalazin-1-yl]oxymethyl]-2-pyridyl]methyl]amine Formula: C27H24N6O MolecularWeight: 448.51906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC2=NC(=CC=C2)COC3=NN=C(C4=CC=CC=C43)C5=CN=CN=C5

Isomeric SMILES

C1=CC=C(C=C1)CCNCC2=NC(=CC=C2)COC3=NN=C(C4=CC=CC=C43)C5=CN=CN=C5

InChI

InChI=1S/C27H24N6O/c1-2-7-20(8-3-1)13-14-28-17-22-9-6-10-23(31-22)18-34-27-25-12-5-4-11-24(25)26(32-33-27)21-15-29-19-30-16-21/h1-12,15-16,19,28H,13-14,17-18H2