N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[[4-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[4-(isobutyrylamino)benzyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C20H20N4O3 MolecularWeight: 364.3978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H20N4O3/c1-12(2)18(25)22-14-9-7-13(8-10-14)11-21-20(27)17-15-5-3-4-6-16(15)19(26)24-23-17/h3-10,12H,11H2,1-2H3,(H,21,27)(H,22,25)(H,24,26)