4-oxidanylidene-3-pentyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-pentyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-pentyl-N-[[3-(2-pyridylmethoxy)phenyl]methyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-pentyl-N-[[3-(2-pyridinylmethoxy)phenyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-pentyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]phthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[3-(2-pyridylmethoxy)benzyl]phthalazine-1-carboxamide Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC(=CC=C3)OCC4=CC=CC=N4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC(=CC=C3)OCC4=CC=CC=N4

InChI

InChI=1S/C27H28N4O3/c1-2-3-8-16-31-27(33)24-14-5-4-13-23(24)25(30-31)26(32)29-18-20-10-9-12-22(17-20)34-19-21-11-6-7-15-28-21/h4-7,9-15,17H,2-3,8,16,18-19H2,1H3,(H,29,32)