1-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(4-oxo-3-phenyl-phthalazine-1-carbonyl)-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-oxo-3-phenylphthalazine-1-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(4-keto-3-phenyl-phthalazine-1-carbonyl)-N-(3-pyridylmethyl)isonipecotamide Formula: C27H25N5O3 MolecularWeight: 467.5191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CN=CC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CN=CC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H25N5O3/c33-25(29-18-19-7-6-14-28-17-19)20-12-15-31(16-13-20)27(35)24-22-10-4-5-11-23(22)26(34)32(30-24)21-8-2-1-3-9-21/h1-11,14,17,20H,12-13,15-16,18H2,(H,29,33)