3-butyl-4-oxidanylidene-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide

Systemtic Name: 3-butyl-4-oxidanylidene-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[2-(pyrrolidinomethyl)benzyl]phthalazine-1-carboxamide Formula: C25H30N4O2 MolecularWeight: 418.5313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3CN4CCCC4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3CN4CCCC4

InChI

InChI=1S/C25H30N4O2/c1-2-3-16-29-25(31)22-13-7-6-12-21(22)23(27-29)24(30)26-17-19-10-4-5-11-20(19)18-28-14-8-9-15-28/h4-7,10-13H,2-3,8-9,14-18H2,1H3,(H,26,30)