1-[[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]methyl]-N-pyridin-2-yl-piperidine-3-carboxamide

Systemtic Name: 1-[[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]methyl]-N-pyridin-2-yl-piperidine-3-carboxamide Openeye Name: 1-[[1-oxo-4-(p-tolyl)phthalazin-2-yl]methyl]-N-(2-pyridyl)piperidine-3-carboxamide CAS Name: 1-[[4-(4-methylphenyl)-1-oxo-2-phthalazinyl]methyl]-N-(2-pyridinyl)-3-piperidinecarboxamide IUPAC Name: 1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-pyridin-2-ylpiperidine-3-carboxamide Traditional Name: 1-[[1-keto-4-(p-tolyl)phthalazin-2-yl]methyl]-N-(2-pyridyl)nipecotamide Formula: C27H27N5O2 MolecularWeight: 453.53558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCCC(C4)C(=O)NC5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCCC(C4)C(=O)NC5=CC=CC=N5

InChI

InChI=1S/C27H27N5O2/c1-19-11-13-20(14-12-19)25-22-8-2-3-9-23(22)27(34)32(30-25)18-31-16-6-7-21(17-31)26(33)29-24-10-4-5-15-28-24/h2-5,8-15,21H,6-7,16-18H2,1H3,(H,28,29,33)