methyl 4-[[4-(diethylcarbamoyl)phenyl]amino]phthalazine-1-carboxylate

Systemtic Name: methyl 4-[[4-(diethylcarbamoyl)phenyl]amino]phthalazine-1-carboxylate Openeye Name: methyl 4-[4-(diethylcarbamoyl)anilino]phthalazine-1-carboxylate CAS Name: 4-[4-[diethylamino(oxo)methyl]anilino]-1-phthalazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(diethylcarbamoyl)anilino]phthalazine-1-carboxylate Traditional Name: 4-[4-(diethylcarbamoyl)anilino]phthalazine-1-carboxylic acid methyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C21H22N4O3/c1-4-25(5-2)20(26)14-10-12-15(13-11-14)22-19-17-9-7-6-8-16(17)18(23-24-19)21(27)28-3/h6-13H,4-5H2,1-3H3,(H,22,24)