3-methyl-4-oxidanylidene-N-[3-(propylcarbamoyl)phenyl]phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[3-(propylcarbamoyl)phenyl]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[3-(propylcarbamoyl)phenyl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[3-[oxo(propylamino)methyl]phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[3-(propylcarbamoyl)phenyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[3-(propylcarbamoyl)phenyl]phthalazine-1-carboxamide Formula: C20H20N4O3 MolecularWeight: 364.3978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C20H20N4O3/c1-3-11-21-18(25)13-7-6-8-14(12-13)22-19(26)17-15-9-4-5-10-16(15)20(27)24(2)23-17/h4-10,12H,3,11H2,1-2H3,(H,21,25)(H,22,26)